Mrv0541 09061400062D          

  7  6  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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1907

> <DATABASE_NAME>
t3db

> <SMILES>
[H]\C(Cl)=C(/[H])CCl

> <INCHI_IDENTIFIER>
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-

> <INCHI_KEY>
UOORRWUZONOOLO-UPHRSURJSA-N

> <FORMULA>
C3H4Cl2

> <MOLECULAR_WEIGHT>
110.97

> <EXACT_MASS>
109.969005542

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
9.619755169622907

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1Z)-1,3-dichloroprop-1-ene

> <ALOGPS_LOGP>
2.07

> <JCHEM_LOGP>
1.8844621376666664

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
25.276600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
telone II

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1907

> <NAME>
trans-1,3-Dichloropropene

> <CAS>
10061-02-6

> <SYNONYMS>
(1E)-1,3-Dichloro-1-propene; (1E)-1,3-dichloroprop-1-ene; (E)-1,3-Dichloro-1-propene; (E)-1,3-Dichloropropene; 1,3-dichloro-1-propene; 1,3-dichloro-1-propene, (E)-isomer; 1,3-dichloro-1-propene, (Z)-isomer; 1,3-Dichloro-1-propylene; 1,3-Dichloro-2-propene; 1,3-Dichloropropene; 1,3-dichloropropene; 1,3-Dichloropropene (mixed isomers); 1,3-Dichloropropene (mixed); 1,3-Dichloropropene (technical grade); 1,3-DICHLOROPROPENE (TELONE II); 1,3-Dichloropropene-1; 1,3-dichloropropylene; 2,3-DICHLOROPROPENE; 3-Chloroallyl chloride; 3-Chloropropenyl chloride; Alpha,gamma-dichloropropylene; Alpha-chloroallyl chloride; Chloroallyl c hloride; Chloroallyl chloride; Chloropropenyl chloride; Cis-dichloropropene; Di-trapex CP; Dichloropropene; Dichloropropene, 1,3- (Telone II); Dorlone; Dorlone II; E-1,3-Dichloropropene; Gamma-chloroallyl chloride; Nematox; Nemex; Propylene, 1,3-dichloro-, (trans); Sjpdadfhruf`d`; Telone; Telone c; Telone C17; Telone ec; Telone II; Telone II soil fumigant; Telone II, technical; Telone II, technical grade; Telone II-b; Telone IIr; trans-1,3-Dichloro-1-Propene; trans-1,3-Dichloropropylene; trans-3-Chloroallyl chloride; Trans-telone; Tri-form; Vorlex 201

> <TYPES>
Organic Compound; Organochloride; Pesticide; Pollutant; Food Toxin; Chloropropene; Lachrymator; Synthetic Compound

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