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Home > Nitro Compounds > 85513-22-0
85513-22-0 | Benzamide, 4-methyl-2-nitro-3-(phenylmethoxy)-
CAS No: 85513-22-0 Catalog No: AG004MR8 MDL No:
Product Description
Catalog Number:
AG004MR8
Chemical Name:
Benzamide, 4-methyl-2-nitro-3-(phenylmethoxy)-
CAS Number:
85513-22-0
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
4-methyl-2-nitro-3-phenylmethoxybenzamide
InChI:
InChI=1S/C15H14N2O4/c1-10-7-8-12(15(16)18)13(17(19)20)14(10)21-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,16,18)
InChI Key:
GWCXWMZYJBOBPO-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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