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Home > Nitro Compounds > 6917-08-4
6917-08-4 | N-(4-methylphenyl)-4-nitrobenzamide
CAS No: 6917-08-4 Catalog No: AG00J547 MDL No:MFCD00437220
Product Description
Catalog Number:
AG00J547
Chemical Name:
N-(4-methylphenyl)-4-nitrobenzamide
CAS Number:
6917-08-4
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD00437220
IUPAC Name:
N-(4-methylphenyl)-4-nitrobenzamide
InChI:
InChI=1S/C14H12N2O3/c1-10-2-6-12(7-3-10)15-14(17)11-4-8-13(9-5-11)16(18)19/h2-9H,1H3,(H,15,17)
InChI Key:
DGGPXDZCZMNNJB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
324
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:
1
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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