Mrv1572004191601082D          

  4  3  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004012

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(Cl)=O

> <INCHI_IDENTIFIER>
InChI=1S/CCl2O/c2-1(3)4

> <INCHI_KEY>
YGYAWVDWMABLBF-UHFFFAOYSA-N

> <FORMULA>
CCl2O

> <MOLECULAR_WEIGHT>
98.91

> <EXACT_MASS>
97.93262

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.514289109357702

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
carbonyl dichloride

> <ALOGPS_LOGP>
0.70

> <JCHEM_LOGP>
1.3167106556666666

> <ALOGPS_LOGS>
-0.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
17.2152

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phosgene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Carbonic dichloride

> <CAS>
75-44-5

> <SYNONYMS>
Carbonyl Chloride (Phosgene); Phosgene; phosgene; Phosgene (Carbonyl Chloride)

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