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Home > Nitro Compounds > 125659-92-9
125659-92-9 | Benzamide, N-nitro-N-(phenylmethyl)-
CAS No: 125659-92-9 Catalog No: AG000OAN MDL No:
Product Description
Catalog Number:
AG000OAN
Chemical Name:
Benzamide, N-nitro-N-(phenylmethyl)-
CAS Number:
125659-92-9
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
N-benzyl-N-nitrobenzamide
InChI:
InChI=1S/C14H12N2O3/c17-14(13-9-5-2-6-10-13)15(16(18)19)11-12-7-3-1-4-8-12/h1-10H,11H2
InChI Key:
PFQHOXTTWUVWJN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N(C(=O)c1ccccc1)Cc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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