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117164-16-6 | 1H-Benzimidazole-2-acetic acid, hydrochloride (1:1)
CAS No: 117164-16-6 Catalog No: AG000DUC MDL No:
Product Description
Catalog Number:
AG000DUC
Chemical Name:
1H-Benzimidazole-2-acetic acid, hydrochloride (1:1)
CAS Number:
117164-16-6
Molecular Formula:
C9H9ClN2O2
Molecular Weight:
212.6330
IUPAC Name:
2-(1H-benzimidazol-2-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C9H8N2O2.ClH/c12-9(13)5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5H2,(H,10,11)(H,12,13);1H
InChI Key:
VPTBXGQXCPWEHE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.633g/mol
Monoisotopic Mass:
212.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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