Mrv0541 02241216582D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004020

> <DATABASE_NAME>
chemdb

> <SMILES>
FC(F)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/CCl2F2/c2-1(3,4)5

> <INCHI_KEY>
PXBRQCKWGAHEHS-UHFFFAOYSA-N

> <FORMULA>
CCl2F2

> <MOLECULAR_WEIGHT>
120.914

> <EXACT_MASS>
119.934511824

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
6.631653663682927

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichlorodifluoromethane

> <ALOGPS_LOGP>
2.06

> <JCHEM_LOGP>
2.4214237903333333

> <ALOGPS_LOGS>
-1.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
2.3038

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.37e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dichlorodifluoromethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
CFC-12

> <CAS>
75-71-8

> <SYNONYMS>
Dichlorodifluoromethane; DICHLORODIFLUOROMETHANE; dichlorodifluoromethane; Methane, dichlorodifluoro-

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