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537009-99-7 | 1-(3-methylbutyl)-1H-benzimidazole-2-sulfonic acid
CAS No: 537009-99-7 Catalog No: AG00J8FX MDL No:MFCD03670848
Product Description
Catalog Number:
AG00J8FX
Chemical Name:
1-(3-methylbutyl)-1H-benzimidazole-2-sulfonic acid
CAS Number:
537009-99-7
Molecular Formula:
C12H16N2O3S
Molecular Weight:
268.3320
MDL Number:
MFCD03670848
IUPAC Name:
1-(3-methylbutyl)benzimidazole-2-sulfonic acid
InChI:
InChI=1S/C12H16N2O3S/c1-9(2)7-8-14-11-6-4-3-5-10(11)13-12(14)18(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)
InChI Key:
GMFUJBCDPRSFMV-UHFFFAOYSA-N
SMILES:
CC(CCn1c2ccccc2nc1S(=O)(=O)O)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.331g/mol
Monoisotopic Mass:
268.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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