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Home Nitriles (2-Chloro-phenyl)-oxo-acetonitrile

(2-Chloro-phenyl)-oxo-acetonitrile

CAS No.:
35022-42-5
Catalog Number:
AG00BYJ4
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$94
- +
5g
95%
In Stock USA
United States
$282
- +
Product Description
Catalog Number:
AG00BYJ4
Chemical Name:
(2-Chloro-phenyl)-oxo-acetonitrile
CAS Number:
35022-42-5
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD03092702
IUPAC Name:
2-chlorobenzoyl cyanide
InChI:
InChI=1S/C8H4ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4H
InChI Key:
YUCRNASRVPZKNQ-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1ccccc1Cl
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
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
Pulses of extracellular K+ produce two cytosolic Ca2+ transients that display different temperature dependence and carbonyl cyanide m-chlorophenyl sensitivity in SH-SY5Y cells. Brain research 20080605
Properties