Mrv1572004221603392D          

 13 12  0  0  0  0            999 V2000
   -1.9816   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6961   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1618   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395   -2.4454    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3052   -2.4454    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -3.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908   -3.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2671   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763   -2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 11  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009172

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(=O)OCCOCCOC(Cl)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2

> <INCHI_KEY>
XFSAZBKSWGOXRH-UHFFFAOYSA-N

> <FORMULA>
C6H8Cl2O5

> <MOLECULAR_WEIGHT>
231.03

> <EXACT_MASS>
229.9748788

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
19.984157964008677

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
chloro(2-{2-[(chlorocarbonyl)oxy]ethoxy}ethoxy)methanone

> <ALOGPS_LOGP>
1.89

> <JCHEM_LOGP>
1.6400496816666665

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.154968593198619

> <JCHEM_POLAR_SURFACE_AREA>
61.83000000000001

> <JCHEM_REFRACTIVITY>
45.32610000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.86e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chloro(2-{2-[(chlorocarbonyl)oxy]ethoxy}ethoxy)methanone

> <JCHEM_VEBER_RULE>
0

> <NAME>
Diethlylene glycol bis chloroformate

> <CAS>
106-75-2

> <SYNONYMS>
2-{2-[(chlorocarbonyl)oxy]ethoxy}ethyl chloroformate; Carbonochloridic acid, oxydi-2,1-ethanediyl ester; Oxydiethylene chloroformate

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