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Home > Imidazoles > 1021144-32-0
1021144-32-0 | Benzoic acid, 4-(2-methyl-1H-benzimidazol-1-yl)-
CAS No: 1021144-32-0 Catalog No: AG0006NJ MDL No:MFCD13810991
Product Description
Catalog Number:
AG0006NJ
Chemical Name:
Benzoic acid, 4-(2-methyl-1H-benzimidazol-1-yl)-
CAS Number:
1021144-32-0
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD13810991
IUPAC Name:
4-(2-methylbenzimidazol-1-yl)benzoic acid
InChI:
InChI=1S/C15H12N2O2/c1-10-16-13-4-2-3-5-14(13)17(10)12-8-6-11(7-9-12)15(18)19/h2-9H,1H3,(H,18,19)
InChI Key:
WJBFLMFRFMTUMZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1c(C)nc2c1cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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