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124340-85-8 | 1H-Benzimidazole-7-carboxylicacid, 2-(2-pyridinyl)-
CAS No: 124340-85-8 Catalog No: AG000LVY MDL No:
Product Description
Catalog Number:
AG000LVY
Chemical Name:
1H-Benzimidazole-7-carboxylicacid, 2-(2-pyridinyl)-
CAS Number:
124340-85-8
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
IUPAC Name:
2-pyridin-2-yl-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C13H9N3O2/c17-13(18)8-4-3-6-9-11(8)16-12(15-9)10-5-1-2-7-14-10/h1-7H,(H,15,16)(H,17,18)
InChI Key:
ORKPQHISLNQQGP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1[nH]c(n2)c1ccccn1
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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