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Home > Nitro Compounds > 781671-19-0
781671-19-0 | Benzoic acid, 4-nitro-, compd. with 4,4'-bipyridine (1:1)
CAS No: 781671-19-0 Catalog No: AG005D2H MDL No:
Product Description
Catalog Number:
AG005D2H
Chemical Name:
Benzoic acid, 4-nitro-, compd. with 4,4'-bipyridine (1:1)
CAS Number:
781671-19-0
Molecular Formula:
C17H13N3O4
Molecular Weight:
323.3028
IUPAC Name:
4-nitrobenzoic acid;4-pyridin-4-ylpyridine
InChI:
InChI=1S/C10H8N2.C7H5NO4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-8H;1-4H,(H,9,10)
InChI Key:
WFWSYIDVUFSNEE-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1ccncc1.OC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
298
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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