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Home > Nitro Compounds > 85367-01-7
85367-01-7 | Benzamide, 3-nitro-N-2-pyridinyl-
CAS No: 85367-01-7 Catalog No: AG004OXT MDL No:
Product Description
Catalog Number:
AG004OXT
Chemical Name:
Benzamide, 3-nitro-N-2-pyridinyl-
CAS Number:
85367-01-7
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
3-nitro-N-pyridin-2-ylbenzamide
InChI:
InChI=1S/C12H9N3O3/c16-12(14-11-6-1-2-7-13-11)9-4-3-5-10(8-9)15(17)18/h1-8H,(H,13,14,16)
InChI Key:
YSNFSBABFQPALZ-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccccn1
Properties
Complexity:
316
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
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