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28970-53-8 | Benzoic acid, 2-(5-chloro-1H-benzimidazol-1-yl)-
CAS No: 28970-53-8 Catalog No: AG002V1C MDL No:
Product Description
Catalog Number:
AG002V1C
Chemical Name:
Benzoic acid, 2-(5-chloro-1H-benzimidazol-1-yl)-
CAS Number:
28970-53-8
Molecular Formula:
C14H9ClN2O2
Molecular Weight:
272.6865
IUPAC Name:
2-(5-chlorobenzimidazol-1-yl)benzoic acid
InChI:
InChI=1S/C14H9ClN2O2/c15-9-5-6-13-11(7-9)16-8-17(13)12-4-2-1-3-10(12)14(18)19/h1-8H,(H,18,19)
InChI Key:
CICYDEZLGUAQMR-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)ncn2c1ccccc1C(=O)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.688g/mol
Monoisotopic Mass:
272.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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