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Home > Nitro Compounds > 102631-02-7
102631-02-7 | Benzamide, N-(2-methylphenyl)-3-nitro-
CAS No: 102631-02-7 Catalog No: AG00H9TT MDL No:MFCD00429496
Product Description
Catalog Number:
AG00H9TT
Chemical Name:
Benzamide, N-(2-methylphenyl)-3-nitro-
CAS Number:
102631-02-7
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD00429496
IUPAC Name:
N-(2-methylphenyl)-3-nitrobenzamide
InChI:
InChI=1S/C14H12N2O3/c1-10-5-2-3-8-13(10)15-14(17)11-6-4-7-12(9-11)16(18)19/h2-9H,1H3,(H,15,17)
InChI Key:
RDJDRUCNHBLROS-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccccc1C
Properties
Complexity:
340
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:
2.6
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