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Home > Nitro Compounds > 847446-89-3
847446-89-3 | 4-(3-Nitropyridin-2-yl);benzoic acid
CAS No: 847446-89-3 Catalog No: AG004SA0 MDL No:MFCD08444023
Product Description
Catalog Number:
AG004SA0
Chemical Name:
4-(3-Nitropyridin-2-yl);benzoic acid
CAS Number:
847446-89-3
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
MDL Number:
MFCD08444023
IUPAC Name:
4-(3-nitropyridin-2-yl)benzoic acid
InChI:
InChI=1S/C12H8N2O4/c15-12(16)9-5-3-8(4-6-9)11-10(14(17)18)2-1-7-13-11/h1-7H,(H,15,16)
InChI Key:
QQEXNJITHGFQCE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1c1ccc(cc1)C(=O)O
Properties
Complexity:
321
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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