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Home > Nitro Compounds > 61899-13-6
61899-13-6 | N-methyl-2-nitro-N-phenylbenzamide
CAS No: 61899-13-6 Catalog No: AG00JGQH MDL No:MFCD00430506
Product Description
Catalog Number:
AG00JGQH
Chemical Name:
N-methyl-2-nitro-N-phenylbenzamide
CAS Number:
61899-13-6
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD00430506
IUPAC Name:
N-methyl-2-nitro-N-phenylbenzamide
InChI:
InChI=1S/C14H12N2O3/c1-15(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)16(18)19/h2-10H,1H3
InChI Key:
XTFRUWLCKHHIIN-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
334
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:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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