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Home > Imidazoles > 1158496-77-5
1158496-77-5 | 2-Hydroxymethyl-1H-benzoimidazole-5-sulfonic acid hydrochloride
CAS No: 1158496-77-5 Catalog No: AG01F2BB MDL No:
Product Description
Catalog Number:
AG01F2BB
Chemical Name:
2-Hydroxymethyl-1H-benzoimidazole-5-sulfonic acid hydrochloride
CAS Number:
1158496-77-5
Molecular Formula:
C8H9ClN2O4S
Molecular Weight:
264.6861
IUPAC Name:
2-(hydroxymethyl)-3H-benzimidazole-5-sulfonic acid;hydrochloride
InChI:
InChI=1S/C8H8N2O4S.ClH/c11-4-8-9-6-2-1-5(15(12,13)14)3-7(6)10-8;/h1-3,11H,4H2,(H,9,10)(H,12,13,14);1H
InChI Key:
AIQKWUJLEJDCNK-UHFFFAOYSA-N
SMILES:
OCc1[nH]c2c(n1)cc(cc2)S(=O)(=O)O.Cl
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
264.68g/mol
Monoisotopic Mass:
263.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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