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700-60-7 | Benzene,(1,2,2-trichloroethenyl)-
CAS No: 700-60-7 Catalog No: AG005G9P MDL No:
Product Description
Catalog Number:
AG005G9P
Chemical Name:
Benzene,(1,2,2-trichloroethenyl)-
CAS Number:
700-60-7
Molecular Formula:
C8H5Cl3
Molecular Weight:
207.4843
IUPAC Name:
1,2,2-trichloroethenylbenzene
InChI:
InChI=1S/C8H5Cl3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H
InChI Key:
SVHAMPNLOLKSFU-UHFFFAOYSA-N
SMILES:
ClC(=C(Cl)Cl)c1ccccc1
EC Number:
211-848-8
NSC Number:
170021
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.946g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.478g/mol
Monoisotopic Mass:
205.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Application of multi-component Damage Assessment Model (MDAM) for the toxicity of metabolized PAH in Hyalella azteca. | Environmental science & technology 20060215 |
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