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72470-43-0 | 1H-Benzimidazole-4-carboxylic acid, 2-phenyl-, methyl ester
CAS No: 72470-43-0 Catalog No: AG005HF8 MDL No:
Product Description
Catalog Number:
AG005HF8
Chemical Name:
1H-Benzimidazole-4-carboxylic acid, 2-phenyl-, methyl ester
CAS Number:
72470-43-0
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
methyl 2-phenyl-1H-benzimidazole-4-carboxylate
InChI:
InChI=1S/C15H12N2O2/c1-19-15(18)11-8-5-9-12-13(11)17-14(16-12)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17)
InChI Key:
HGDDYLPGUIZRHE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nc([nH]2)c1ccccc1
Properties
Complexity:
328
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:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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