21275801
  -OEChem-04262410452D

 19 19  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5981    2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
M  CHG  2   5  -1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
21275801

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
220

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgOAIGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAACAADAKgmCIwAIAAARCAQiBCAIACAAAgBQAIiAAACogIJiKBExCAMAAkwAEIiAeAwCAOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2,4-dichlorophenyl)methyl phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
(2,4-dichlorophenyl)methyl phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2,4-dichlorophenyl)methyl phosphate

> <PUBCHEM_IUPAC_NAME>
(2,4-dichlorophenyl)methyl phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2,4-dichlorophenyl)methyl phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2,4-dichlorobenzyl) phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H7Cl2O4P/c8-6-2-1-5(7(9)3-6)4-13-14(10,11)12/h1-3H,4H2,(H2,10,11,12)/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
FAHYTDJZUYXCQQ-UHFFFAOYSA-L

> <PUBCHEM_XLOGP3>
1.3

> <PUBCHEM_EXACT_MASS>
253.9302510

> <PUBCHEM_MOLECULAR_FORMULA>
C7H5Cl2O4P-2

> <PUBCHEM_MOLECULAR_WEIGHT>
254.99

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)Cl)COP(=O)([O-])[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)Cl)COP(=O)([O-])[O-]

> <PUBCHEM_CACTVS_TPSA>
72.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
253.9302510

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  12  8
11  13  8
12  14  8
13  14  8
8  10  8
8  11  8

$$$$