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249292-42-0 | 4-(1H-imidazol-1-yl)benzoic acid hydrochloride
CAS No: 249292-42-0 Catalog No: AG019NCV MDL No:MFCD11505551
Product Description
Catalog Number:
AG019NCV
Chemical Name:
4-(1H-imidazol-1-yl)benzoic acid hydrochloride
CAS Number:
249292-42-0
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD11505551
IUPAC Name:
4-imidazol-1-ylbenzoic acid;hydrochloride
InChI:
InChI=1S/C10H8N2O2.ClH/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12;/h1-7H,(H,13,14);1H
InChI Key:
WVFHVTAOWAKGFT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1cncc1.Cl
Properties
Complexity:
212
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:
2
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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