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Home > Nitro Compounds > 781671-18-9
781671-18-9 | Benzoic acid, 4-nitro-, compd. with 2,2'-bipyridine (1:1)
CAS No: 781671-18-9 Catalog No: AG005D2I MDL No:
Product Description
Catalog Number:
AG005D2I
Chemical Name:
Benzoic acid, 4-nitro-, compd. with 2,2'-bipyridine (1:1)
CAS Number:
781671-18-9
Molecular Formula:
C17H13N3O4
Molecular Weight:
323.3028
IUPAC Name:
4-nitrobenzoic acid;2-pyridin-2-ylpyridine
InChI:
InChI=1S/C10H8N2.C7H5NO4/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-8H;1-4H,(H,9,10)
InChI Key:
VNYNRCBZMRVVBC-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1ccccn1.OC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.308g/mol
Monoisotopic Mass:
323.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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