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208118-13-2 | 1H-Benzimidazole-6-carboxylic acid, 2-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 208118-13-2 Catalog No: AG002JI6 MDL No:
Product Description
Catalog Number:
AG002JI6
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 2-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
208118-13-2
Molecular Formula:
C15H13ClN2O2
Molecular Weight:
288.7289
IUPAC Name:
2-benzyl-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C15H12N2O2/c18-15(19)11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChI Key:
MVYLIYKCQPPISO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]c(n2)Cc1ccccc1.Cl
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:
2
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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