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178814-08-9 | Benzoic acid, 2-(2,3-dihydro-1,3-dimethyl-1H-benzimidazol-2-yl)-
CAS No: 178814-08-9 Catalog No: AG0026EC MDL No:
Product Description
Catalog Number:
AG0026EC
Chemical Name:
Benzoic acid, 2-(2,3-dihydro-1,3-dimethyl-1H-benzimidazol-2-yl)-
CAS Number:
178814-08-9
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
2-(1,3-dimethyl-2H-benzimidazol-2-yl)benzoic acid
InChI:
InChI=1S/C16H16N2O2/c1-17-13-9-5-6-10-14(13)18(2)15(17)11-7-3-4-8-12(11)16(19)20/h3-10,15H,1-2H3,(H,19,20)
InChI Key:
NWFJTDSJHAXCBP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C1N(C)c2c(N1C)cccc2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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