Mrv1572004191601162D          

  7  6  0  0  0  0            999 V2000
   -1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.3020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004287

> <DATABASE_NAME>
chemdb

> <SMILES>
ClCCOC(Cl)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2

> <INCHI_KEY>
SVDDJQGVOFZBNX-UHFFFAOYSA-N

> <FORMULA>
C3H4Cl2O2

> <MOLECULAR_WEIGHT>
142.96

> <EXACT_MASS>
141.9588348

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
11.577055206686023

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloro(2-chloroethoxy)methanone

> <ALOGPS_LOGP>
1.32

> <JCHEM_LOGP>
1.5937649106666665

> <ALOGPS_LOGS>
-1.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.97427932339998

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
27.469100000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.39e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chloro(2-chloroethoxy)methanone

> <JCHEM_VEBER_RULE>
1

> <NAME>
Chloroethyl chloroformate

> <CAS>
627-11-2

$$$$