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Home > Nitro Compounds > 88277-66-1
88277-66-1 | Benzamide, N-methyl-2-nitro-N-(1-phenyl-1H-pyrazol-5-yl)-
CAS No: 88277-66-1 Catalog No: AG004A9T MDL No:
Product Description
Catalog Number:
AG004A9T
Chemical Name:
Benzamide, N-methyl-2-nitro-N-(1-phenyl-1H-pyrazol-5-yl)-
CAS Number:
88277-66-1
Molecular Formula:
C17H14N4O3
Molecular Weight:
322.3181
IUPAC Name:
N-methyl-2-nitro-N-(2-phenylpyrazol-3-yl)benzamide
InChI:
InChI=1S/C17H14N4O3/c1-19(17(22)14-9-5-6-10-15(14)21(23)24)16-11-12-18-20(16)13-7-3-2-4-8-13/h2-12H,1H3
InChI Key:
MSOAHHSZDLTBGQ-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccnn1c1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.107g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.324g/mol
Monoisotopic Mass:
322.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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