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Home > Imidazoles > 381705-51-7
381705-51-7 | 1-Isobutyl-1H-benzimidazole-2-sulfonic acid
CAS No: 381705-51-7 Catalog No: AG01AQ4M MDL No:MFCD02630563
Product Description
Catalog Number:
AG01AQ4M
Chemical Name:
1-Isobutyl-1H-benzimidazole-2-sulfonic acid
CAS Number:
381705-51-7
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
MDL Number:
MFCD02630563
IUPAC Name:
1-(2-methylpropyl)benzimidazole-2-sulfonic acid
InChI:
InChI=1S/C11H14N2O3S/c1-8(2)7-13-10-6-4-3-5-9(10)12-11(13)17(14,15)16/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChI Key:
HAXCIDOKZMLZAV-UHFFFAOYSA-N
SMILES:
CC(Cn1c2ccccc2nc1S(=O)(=O)O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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