200,000+ products from a single source!
sales@angenechem.com
175401-95-3 | 1H-Benzimidazole-6-carboxylic acid, 2-(4-cyanophenyl)-
CAS No: 175401-95-3 Catalog No: AG0020Y8 MDL No:
Product Description
Catalog Number:
AG0020Y8
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 2-(4-cyanophenyl)-
CAS Number:
175401-95-3
Molecular Formula:
C15H9N3O2
Molecular Weight:
263.2509
IUPAC Name:
2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C15H9N3O2/c16-8-9-1-3-10(4-2-9)14-17-12-6-5-11(15(19)20)7-13(12)18-14/h1-7H,(H,17,18)(H,19,20)
InChI Key:
HRUUSKALOILBKF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C(=O)O
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.256g/mol
Monoisotopic Mass:
263.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
© 2019 Angene International Limited. All rights Reserved.