200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1097783-82-8
1097783-82-8 | 2-(3-Cyanophenyl)benzimidazole-6-carboxylic acid
CAS No: 1097783-82-8 Catalog No: AG01F9FD MDL No:MFCD20265179
Product Description
Catalog Number:
AG01F9FD
Chemical Name:
2-(3-Cyanophenyl)benzimidazole-6-carboxylic acid
CAS Number:
1097783-82-8
Molecular Formula:
C15H9N3O2
Molecular Weight:
263.2509
MDL Number:
MFCD20265179
IUPAC Name:
2-(3-cyanophenyl)-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C15H9N3O2/c16-8-9-2-1-3-10(6-9)14-17-12-5-4-11(15(19)20)7-13(12)18-14/h1-7H,(H,17,18)(H,19,20)
InChI Key:
WSQUBEXNKYBRJM-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1nc2c([nH]1)cc(cc2)C(=O)O
Properties
Complexity:
430
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:
2.4
Related Products
© 2019 Angene International Limited. All rights Reserved.