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Home > Nitro Compounds > 864075-95-6
864075-95-6 | 3-(5-Nitropyridin-2-yl)benzoic acid
CAS No: 864075-95-6 Catalog No: AG004XCI MDL No:MFCD05864815
Product Description
Catalog Number:
AG004XCI
Chemical Name:
3-(5-Nitropyridin-2-yl)benzoic acid
CAS Number:
864075-95-6
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
MDL Number:
MFCD05864815
IUPAC Name:
3-(5-nitropyridin-2-yl)benzoic acid
InChI:
InChI=1S/C12H8N2O4/c15-12(16)9-3-1-2-8(6-9)11-5-4-10(7-13-11)14(17)18/h1-7H,(H,15,16)
InChI Key:
NLHLQKGYMCYSQS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)c1cccc(c1)C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.206g/mol
Monoisotopic Mass:
244.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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