CAS 873-32-5 | 2-Chlorobenzonitrile | CAS Number 873-32-5

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873-32-5 | 2-Chlorobenzonitrile

CAS No: 873-32-5 Catalog No: AG003H1S MDL No:MFCD00001779

Product Description

Catalog Number:

AG003H1S

Chemical Name:

2-Chlorobenzonitrile

CAS Number:

873-32-5

Molecular Formula:

C7H4ClN

Molecular Weight:

137.5664

MDL Number:

MFCD00001779

IUPAC Name:

2-chlorobenzonitrile

InChI:

InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H

InChI Key:

NHWQMJMIYICNBP-UHFFFAOYSA-N

SMILES:

N#Cc1ccccc1Cl

EC Number:

212-836-5

NSC Number:

8438

Properties

Complexity:

135

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

137.003g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

137.566g/mol

Monoisotopic Mass:

137.003g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110201
2-(3-Chloro-phen-yl)-4,5-dihydro-1H-imidazole.	Acta crystallographica. Section E, Structure reports online 20090201
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.	Studies in mycology 20080101
o-Chloro- and o-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing.	Acta crystallographica. Section C, Crystal structure communications 20070101
A convenient catalyst system for microwave accelerated cross-coupling of a range of aryl boronic acids with aryl chlorides.	Beilstein journal of organic chemistry 20070101