Home Other Building Blocks 4-(1H-1,3-benzodiazol-1-yl)benzoic acid hydrochloride

4-(1H-1,3-benzodiazol-1-yl)benzoic acid hydrochloride

CAS No.:
1240528-32-8
Catalog Number:
AG01A9R3
Molecular Formula:
C14H11ClN2O2
Molecular Weight:
274.7023
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Product Description
Catalog Number:
AG01A9R3
Chemical Name:
4-(1H-1,3-benzodiazol-1-yl)benzoic acid hydrochloride
CAS Number:
1240528-32-8
Molecular Formula:
C14H11ClN2O2
Molecular Weight:
274.7023
MDL Number:
MFCD16622199
IUPAC Name:
4-(benzimidazol-1-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C14H10N2O2.ClH/c17-14(18)10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16;/h1-9H,(H,17,18);1H
InChI Key:
BGQKHOJPXHEWIO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1cnc2c1cccc2.Cl
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.051g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.704g/mol
Monoisotopic Mass:
274.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties