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1381947-81-4 | Benzoic acid, 3-(1H-benzimidazol-1-yl)-, methyl ester
CAS No: 1381947-81-4 Catalog No: AG001883 MDL No:
Product Description
Catalog Number:
AG001883
Chemical Name:
Benzoic acid, 3-(1H-benzimidazol-1-yl)-, methyl ester
CAS Number:
1381947-81-4
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
methyl 3-(benzimidazol-1-yl)benzoate
InChI:
InChI=1S/C15H12N2O2/c1-19-15(18)11-5-4-6-12(9-11)17-10-16-13-7-2-3-8-14(13)17/h2-10H,1H3
InChI Key:
WCCSRCPLXQKEPK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)n1cnc2c1cccc2
Properties
Complexity:
334
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:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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