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17922-96-2 | Benzamide, 4-cyano-N-phenyl-
CAS No: 17922-96-2 Catalog No: AG0026VR MDL No:MFCD00505998
Product Description
Catalog Number:
AG0026VR
Chemical Name:
Benzamide, 4-cyano-N-phenyl-
CAS Number:
17922-96-2
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
MDL Number:
MFCD00505998
IUPAC Name:
4-cyano-N-phenylbenzamide
InChI:
InChI=1S/C14H10N2O/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h1-9H,(H,16,17)
InChI Key:
PMOXWVIRAXTQPK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)Nc1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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