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Home > Imidazoles > 108035-45-6
108035-45-6 | 4-(1H-Imidazol-2-yl)benzoic acid
CAS No: 108035-45-6 Catalog No: AG003K00 MDL No:MFCD00456057
Product Description
Catalog Number:
AG003K00
Chemical Name:
4-(1H-Imidazol-2-yl)benzoic acid
CAS Number:
108035-45-6
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00456057
IUPAC Name:
4-(1H-imidazol-2-yl)benzoic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,(H,11,12)(H,13,14)
InChI Key:
YJCYHGYOXHANSY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ncc[nH]1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| 4-(Imidazol-1-yl)benzoic acid. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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