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Home > Imidazoles > 4278-13-1
4278-13-1 | 2-(1H-IMIDAZOL-2-YL)-BENZOIC ACID HCL
CAS No: 4278-13-1 Catalog No: AG00CXC9 MDL No:MFCD09908851
Product Description
Catalog Number:
AG00CXC9
Chemical Name:
2-(1H-IMIDAZOL-2-YL)-BENZOIC ACID HCL
CAS Number:
4278-13-1
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD09908851
IUPAC Name:
2-(1H-imidazol-2-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C10H8N2O2.ClH/c13-10(14)8-4-2-1-3-7(8)9-11-5-6-12-9;/h1-6H,(H,11,12)(H,13,14);1H
InChI Key:
VHBHOFCCXQFQCL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1ncc[nH]1.Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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