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1008-15-7 | Benzonitrile, 2-(2-chloroacetyl)-
CAS No: 1008-15-7 Catalog No: AG0002WO MDL No:
Product Description
Catalog Number:
AG0002WO
Chemical Name:
Benzonitrile, 2-(2-chloroacetyl)-
CAS Number:
1008-15-7
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
IUPAC Name:
2-(2-chloroacetyl)benzonitrile
InChI:
InChI=1S/C9H6ClNO/c10-5-9(12)8-4-2-1-3-7(8)6-11/h1-4H,5H2
InChI Key:
QLWBWNBFUCQEJM-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccccc1C#N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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