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14062-91-0 | Benzamide, N-(cyanophenylmethyl)-N-phenyl-
CAS No: 14062-91-0 Catalog No: AG001CL2 MDL No:
Product Description
Catalog Number:
AG001CL2
Chemical Name:
Benzamide, N-(cyanophenylmethyl)-N-phenyl-
CAS Number:
14062-91-0
Molecular Formula:
C21H16N2O
Molecular Weight:
312.3645
IUPAC Name:
N-[cyano(phenyl)methyl]-N-phenylbenzamide
InChI:
InChI=1S/C21H16N2O/c22-16-20(17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)21(24)18-12-6-2-7-13-18/h1-15,20H
InChI Key:
UIJZNAWDHHRCAO-UHFFFAOYSA-N
SMILES:
N#CC(N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.372g/mol
Monoisotopic Mass:
312.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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