CAS 140-53-4 | Benzeneacetonitrile, 4-chloro- | CAS Number 140-53-4

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140-53-4 | Benzeneacetonitrile, 4-chloro-

CAS No: 140-53-4 Catalog No: AG001BXI MDL No:MFCD00001918

Product Description

Catalog Number:

AG001BXI

Chemical Name:

Benzeneacetonitrile, 4-chloro-

CAS Number:

140-53-4

Molecular Formula:

C8H6ClN

Molecular Weight:

151.5929

MDL Number:

MFCD00001918

IUPAC Name:

2-(4-chlorophenyl)acetonitrile

InChI:

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

InChI Key:

IVYMIRMKXZAHRV-UHFFFAOYSA-N

SMILES:

N#CCc1ccc(cc1)Cl

EC Number:

205-418-9

UNII:

K2K7AKZ2Z7

NSC Number:

49108

Properties

Complexity:

139

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:

2.5

Literature

Title	Journal
4-(4-Chloro-phen-yl)-1-methyl-3-trifluoro-methyl-1H-pyrazol-5-amine.	Acta crystallographica. Section E, Structure reports online 20100901
3-(4-Chloro-phen-yl)-2,1-benzisoxazole-5-carbonyl chloride.	Acta crystallographica. Section E, Structure reports online 20081201
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.	Studies in mycology 20080101