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90331-20-7 | 1-Benzyl-1H-benzimidazole-2-sulfonic acid
CAS No: 90331-20-7 Catalog No: AG00JA9N MDL No:MFCD00426869
Product Description
Catalog Number:
AG00JA9N
Chemical Name:
1-Benzyl-1H-benzimidazole-2-sulfonic acid
CAS Number:
90331-20-7
Molecular Formula:
C14H12N2O3S
Molecular Weight:
288.3217
MDL Number:
MFCD00426869
IUPAC Name:
1-benzylbenzimidazole-2-sulfonic acid
InChI:
InChI=1S/C14H12N2O3S/c17-20(18,19)14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChI Key:
HGYLMBSADYHHGI-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1nc2c(n1Cc1ccccc1)cccc2
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.321g/mol
Monoisotopic Mass:
288.057g/mol
Rotatable Bond Count:
3
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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