CAS 2856-63-5 | Benzeneacetonitrile, 2-chloro- | CAS Number 2856-63-5

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2856-63-5 | Benzeneacetonitrile, 2-chloro-

CAS No: 2856-63-5 Catalog No: AG002VPY MDL No:MFCD00001898

Product Description

Catalog Number:

AG002VPY

Chemical Name:

Benzeneacetonitrile, 2-chloro-

CAS Number:

2856-63-5

Molecular Formula:

C8H6ClN

Molecular Weight:

151.5929

MDL Number:

MFCD00001898

IUPAC Name:

2-(2-chlorophenyl)acetonitrile

InChI:

InChI=1S/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

InChI Key:

MRDUURPIPLIGQX-UHFFFAOYSA-N

SMILES:

N#CCc1ccccc1Cl

EC Number:

220-669-4

NSC Number:

39462

Properties

Complexity:

147

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

151.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

151.593g/mol

Monoisotopic Mass:

151.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
O,O'-Diethyl {(Z)-[(2-chloro-phen-yl)(cyano)methyl-ene]amino-oxy}thio-phospho-nate.	Acta crystallographica. Section E, Structure reports online 20090401
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.	Studies in mycology 20080101