Home Halogens 1-(4-chlorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid

1-(4-chlorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid

CAS No.:
1551711-35-3
Catalog Number:
AG01BA6F
Molecular Formula:
C14H9ClN2O2
Molecular Weight:
272.6865
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Product Description
Catalog Number:
AG01BA6F
Chemical Name:
1-(4-chlorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid
CAS Number:
1551711-35-3
Molecular Formula:
C14H9ClN2O2
Molecular Weight:
272.6865
MDL Number:
MFCD25798207
IUPAC Name:
3-(4-chlorophenyl)benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C14H9ClN2O2/c15-10-2-4-11(5-3-10)17-8-16-12-6-1-9(14(18)19)7-13(12)17/h1-8H,(H,18,19)
InChI Key:
CWQWCPMEXULVFD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1cnc2c1cc(cc2)C(=O)O
Properties
Complexity:
344  
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  
Properties