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20968-04-1 | Benzeneacetonitrile, 4-chloro-α-(4-chlorophenyl)-
CAS No: 20968-04-1 Catalog No: AG002KCX MDL No:
Product Description
Catalog Number:
AG002KCX
Chemical Name:
Benzeneacetonitrile, 4-chloro-α-(4-chlorophenyl)-
CAS Number:
20968-04-1
Molecular Formula:
C14H9Cl2N
Molecular Weight:
262.1340
IUPAC Name:
2,2-bis(4-chlorophenyl)acetonitrile
InChI:
InChI=1S/C14H9Cl2N/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14H
InChI Key:
FOWHYJUXPOOLJN-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)Cl)c1ccc(cc1)Cl
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.133g/mol
Monoisotopic Mass:
261.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Toxicity, dioxin-like activities, and endocrine effects of DDT metabolites--DDA, DDMU, DDMS, and DDCN. | Environmental science and pollution research international 20120201 |
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