37175
  -OEChem-04252408472D

 33 34  0     1  0  0  0  0  0999 V2000
    2.0000   -0.5194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    2.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    2.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    1.8729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    2.5632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    4.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 23  1  0  0  0  0
 11 17  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
37175

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
291

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgIAAAAADBbhmiY9kJcMFACgAjBnZAACgC0xF6AJyAAYOoiKbiKBuxmXMAAswAOYqCeQwKAOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-allyloxy-2-(2,4-dichlorophenyl)ethyl]imidazole

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole

> <PUBCHEM_IUPAC_NAME>
1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxy-ethyl]imidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-allyloxy-2-(2,4-dichlorophenyl)ethyl]imidazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2

> <PUBCHEM_IUPAC_INCHIKEY>
PZBPKYOVPCNPJY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.8

> <PUBCHEM_EXACT_MASS>
296.0483185

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14Cl2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
297.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
27

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.0483185

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  17  8
14  16  8
15  16  8
4  11  8
4  12  8
5  12  8
5  17  8
6  7  3
8  10  8
8  9  8
9  14  8

$$$$