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249887-77-2 | 4-(1H-imidazol-4-yl)benzoic acid hydrochloride
CAS No: 249887-77-2 Catalog No: AG01C512 MDL No:MFCD27956470
Product Description
Catalog Number:
AG01C512
Chemical Name:
4-(1H-imidazol-4-yl)benzoic acid hydrochloride
CAS Number:
249887-77-2
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD27956470
IUPAC Name:
4-(1H-imidazol-5-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C10H8N2O2.ClH/c13-10(14)8-3-1-7(2-4-8)9-5-11-6-12-9;/h1-6H,(H,11,12)(H,13,14);1H
InChI Key:
CGAGPNMETJMNOW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1c[nH]cn1.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:
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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