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17722-12-2 | Acetamide, N-(3-chlorophenyl)-2-cyano-
CAS No: 17722-12-2 Catalog No: AG00256K MDL No:MFCD00828748
Product Description
Catalog Number:
AG00256K
Chemical Name:
Acetamide, N-(3-chlorophenyl)-2-cyano-
CAS Number:
17722-12-2
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD00828748
IUPAC Name:
N-(3-chlorophenyl)-2-cyanoacetamide
InChI:
InChI=1S/C9H7ClN2O/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4H2,(H,12,13)
InChI Key:
JHGKLDZJAHYJIP-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1cccc(c1)Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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