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824395-45-1 | Benzoic acid, 2-(4-phenyl-1H-imidazol-2-yl)-
CAS No: 824395-45-1 Catalog No: AG008JVE MDL No:
Product Description
Catalog Number:
AG008JVE
Chemical Name:
Benzoic acid, 2-(4-phenyl-1H-imidazol-2-yl)-
CAS Number:
824395-45-1
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
IUPAC Name:
2-(5-phenyl-1H-imidazol-2-yl)benzoic acid
InChI:
InChI=1S/C16H12N2O2/c19-16(20)13-9-5-4-8-12(13)15-17-10-14(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,18)(H,19,20)
InChI Key:
UEVIMVMFJBOOOE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1[nH]cc(n1)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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