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210962-27-9 | Benzoic acid, 4-(1H-imidazol-2-yl)-, hydrochloride (1:1)
CAS No: 210962-27-9 Catalog No: AG002L2W MDL No:
Product Description
Catalog Number:
AG002L2W
Chemical Name:
Benzoic acid, 4-(1H-imidazol-2-yl)-, hydrochloride (1:1)
CAS Number:
210962-27-9
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
IUPAC Name:
4-(1H-imidazol-2-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C10H8N2O2.ClH/c13-10(14)8-3-1-7(2-4-8)9-11-5-6-12-9;/h1-6H,(H,11,12)(H,13,14);1H
InChI Key:
DMEBQUANGLKZAN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ncc[nH]1.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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