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1158293-64-1

1158293-64-1 | 2-(1-Hydroxy-ethyl)-1H-benzoimidazole-5-sulfonic acid hydrochloride

CAS No: 1158293-64-1 Catalog No: AG01F2EQ MDL No:

Product Description

Catalog Number:
AG01F2EQ
Chemical Name:
2-(1-Hydroxy-ethyl)-1H-benzoimidazole-5-sulfonic acid hydrochloride
CAS Number:
1158293-64-1
Molecular Formula:
C9H11ClN2O4S
Molecular Weight:
278.7126
IUPAC Name:
2-(1-hydroxyethyl)-3H-benzimidazole-5-sulfonic acid;hydrochloride
InChI:
InChI=1S/C9H10N2O4S.ClH/c1-5(12)9-10-7-3-2-6(16(13,14)15)4-8(7)11-9;/h2-5,12H,1H3,(H,10,11)(H,13,14,15);1H
InChI Key:
CPWLEABLENJWKO-UHFFFAOYSA-N
SMILES:
CC(c1[nH]c2c(n1)cc(cc2)S(=O)(=O)O)O.Cl

Properties

Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.013g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
278.707g/mol
Monoisotopic Mass:
278.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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