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124340-89-2 | 1H-Benzimidazole-7-carboxylic acid, 2-(3-pyridinyl)-
CAS No: 124340-89-2 Catalog No: AG000LVX MDL No:MFCD10565683
Product Description
Catalog Number:
AG000LVX
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 2-(3-pyridinyl)-
CAS Number:
124340-89-2
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
MDL Number:
MFCD10565683
IUPAC Name:
2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C13H9N3O2/c17-13(18)9-4-1-5-10-11(9)16-12(15-10)8-3-2-6-14-7-8/h1-7H,(H,15,16)(H,17,18)
InChI Key:
JORAKCUOJBWTKP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1[nH]c(n2)c1cccnc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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