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Home > Nitro Compounds > 885476-90-4
885476-90-4 | Benzoic acid,4-(6-nitro-3-pyridinyl)-
CAS No: 885476-90-4 Catalog No: AG004DP2 MDL No:MFCD27931446
Product Description
Catalog Number:
AG004DP2
Chemical Name:
Benzoic acid,4-(6-nitro-3-pyridinyl)-
CAS Number:
885476-90-4
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
MDL Number:
MFCD27931446
IUPAC Name:
4-(6-nitropyridin-3-yl)benzoic acid
InChI:
InChI=1S/C12H8N2O4/c15-12(16)9-3-1-8(2-4-9)10-5-6-11(13-7-10)14(17)18/h1-7H,(H,15,16)
InChI Key:
BRLFBOIOJXWHEC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cn1)c1ccc(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:
2.2
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