6550
  -OEChem-04232410182D

 16 16  0     0  0  0  0  0  0999 V2000
    2.6340    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1106    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7120    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    0.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -0.0379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6550

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
74.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgIAAGAAAAAAAAAAAAAABIAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAADgOggEIAAAAABAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,3-bis(chloromethyl)oxetane

> <PUBCHEM_IUPAC_CAS_NAME>
3,3-bis(chloromethyl)oxetane

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,3-bis(chloromethyl)oxetane

> <PUBCHEM_IUPAC_NAME>
3,3-bis(chloromethyl)oxetane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,3-bis(chloromethyl)oxetane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,3-bis(chloromethyl)oxetane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2

> <PUBCHEM_IUPAC_INCHIKEY>
CXURGFRDGROIKG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
153.9952203

> <PUBCHEM_MOLECULAR_FORMULA>
C5H8Cl2O

> <PUBCHEM_MOLECULAR_WEIGHT>
155.02

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(CO1)(CCl)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(CO1)(CCl)CCl

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
153.9952203

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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

$$$$