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Home > Nitro Compounds > 13313-18-3
13313-18-3 | 4-Nitro-N-pyridin-3-yl-benzamide
CAS No: 13313-18-3 Catalog No: AG016RHI MDL No:MFCD00578485
Product Description
Catalog Number:
AG016RHI
Chemical Name:
4-Nitro-N-pyridin-3-yl-benzamide
CAS Number:
13313-18-3
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
MDL Number:
MFCD00578485
IUPAC Name:
4-nitro-N-pyridin-3-ylbenzamide
InChI:
InChI=1S/C12H9N3O3/c16-12(14-10-2-1-7-13-8-10)9-3-5-11(6-4-9)15(17)18/h1-8H,(H,14,16)
InChI Key:
DRCKREXMVGWWIE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1cccnc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| N-(Pyridin-3-yl)benzamides as selective inhibitors of human aldosterone synthase (CYP11B2). | Bioorganic & medicinal chemistry letters 20110101 |
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