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180197-42-6 | 1H-Benzimidazole-6-carboxylic acid, 2-(3-nitrophenyl)-
CAS No: 180197-42-6 Catalog No: AG0021RN MDL No:
Product Description
Catalog Number:
AG0021RN
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 2-(3-nitrophenyl)-
CAS Number:
180197-42-6
Molecular Formula:
C14H9N3O4
Molecular Weight:
283.2390
IUPAC Name:
2-(3-nitrophenyl)-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C14H9N3O4/c18-14(19)9-4-5-11-12(7-9)16-13(15-11)8-2-1-3-10(6-8)17(20)21/h1-7H,(H,15,16)(H,18,19)
InChI Key:
SFXKPMUEOFVTTG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1nc2c([nH]1)cc(cc2)C(=O)O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.243g/mol
Monoisotopic Mass:
283.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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