Home Halogens Benzeneacetonitrile, a-acetyl-2-chloro-

Benzeneacetonitrile, a-acetyl-2-chloro-

CAS No.:
77186-48-2
Catalog Number:
AG01BH46
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BH46
Chemical Name:
Benzeneacetonitrile, a-acetyl-2-chloro-
CAS Number:
77186-48-2
MDL Number:
MFCD11044059
IUPAC Name:
2-(2-chlorophenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C10H8ClNO/c1-7(13)9(6-12)8-4-2-3-5-10(8)11/h2-5,9H,1H3
InChI Key:
LDPBVMZXVUMUME-UHFFFAOYSA-N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.63g/mol
Monoisotopic Mass:
193.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties