Home Halogens Benzeneacetonitrile, a-acetyl-2,6-dichloro-

Benzeneacetonitrile, a-acetyl-2,6-dichloro-

CAS No.:
186196-04-3
Catalog Number:
AG019W2X
Molecular Formula:
C10H7Cl2NO
Molecular Weight:
228.0747
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Product Description
Catalog Number:
AG019W2X
Chemical Name:
Benzeneacetonitrile, a-acetyl-2,6-dichloro-
CAS Number:
186196-04-3
Molecular Formula:
C10H7Cl2NO
Molecular Weight:
228.0747
MDL Number:
MFCD11208554
IUPAC Name:
2-(2,6-dichlorophenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C10H7Cl2NO/c1-6(14)7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7H,1H3
InChI Key:
HZFPWBVJYDZQSF-UHFFFAOYSA-N
SMILES:
N#CC(c1c(Cl)cccc1Cl)C(=O)C
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.99g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.072g/mol
Monoisotopic Mass:
226.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties