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Home > Imidazoles > 824395-46-2
824395-46-2 | Benzoic acid, 2-(4-methyl-5-phenyl-1H-imidazol-2-yl)-
CAS No: 824395-46-2 Catalog No: AG004WN7 MDL No:
Product Description
Catalog Number:
AG004WN7
Chemical Name:
Benzoic acid, 2-(4-methyl-5-phenyl-1H-imidazol-2-yl)-
CAS Number:
824395-46-2
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
2-(5-methyl-4-phenyl-1H-imidazol-2-yl)benzoic acid
InChI:
InChI=1S/C17H14N2O2/c1-11-15(12-7-3-2-4-8-12)19-16(18-11)13-9-5-6-10-14(13)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChI Key:
HAQYMOGJMNIWFQ-UHFFFAOYSA-N
SMILES:
Cc1nc([nH]c1c1ccccc1)c1ccccc1C(=O)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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