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378764-49-9

378764-49-9 | 1-Isopropyl-1H-benzimidazole-2-sulfonic acid

CAS No: 378764-49-9 Catalog No: AG01AQ4J MDL No:MFCD02630562

Product Description

Catalog Number:
AG01AQ4J
Chemical Name:
1-Isopropyl-1H-benzimidazole-2-sulfonic acid
CAS Number:
378764-49-9
Molecular Formula:
C10H12N2O3S
Molecular Weight:
240.2789
MDL Number:
MFCD02630562
IUPAC Name:
1-propan-2-ylbenzimidazole-2-sulfonic acid
InChI:
InChI=1S/C10H12N2O3S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)16(13,14)15/h3-7H,1-2H3,(H,13,14,15)
InChI Key:
ZSZNPVDVEUJQJS-UHFFFAOYSA-N
SMILES:
CC(n1c2ccccc2nc1S(=O)(=O)O)C

Properties

Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.277g/mol
Monoisotopic Mass:
240.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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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