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72196-96-4 | BENZENEACETONITRILE, 3-(CHLOROACETYL)-
CAS No: 72196-96-4 Catalog No: AG005JG6 MDL No:
Product Description
Catalog Number:
AG005JG6
Chemical Name:
BENZENEACETONITRILE, 3-(CHLOROACETYL)-
CAS Number:
72196-96-4
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
IUPAC Name:
2-[3-(2-chloroacetyl)phenyl]acetonitrile
InChI:
InChI=1S/C10H8ClNO/c11-7-10(13)9-3-1-2-8(6-9)4-5-12/h1-3,6H,4,7H2
InChI Key:
HLKBYJQZKKAQRR-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)C(=O)CCl
Properties
Complexity:
230
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:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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