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Home > Sulfanilamide > 114322-13-3
114322-13-3 | 2,1,3-Benzoxadiazole-4-sulfonamide
CAS No: 114322-13-3 Catalog No: AG000B2L MDL No:MFCD02091384
Product Description
Catalog Number:
AG000B2L
Chemical Name:
2,1,3-Benzoxadiazole-4-sulfonamide
CAS Number:
114322-13-3
Molecular Formula:
C6H5N3O3S
Molecular Weight:
199.1872
MDL Number:
MFCD02091384
IUPAC Name:
2,1,3-benzoxadiazole-4-sulfonamide
InChI:
InChI=1S/C6H5N3O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11)
InChI Key:
WQAIYIVOEJWVLC-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1cccc2c1non2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.184g/mol
Monoisotopic Mass:
199.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Highly potent fluorescence-tagged nonimidazole histamine H3 receptor ligands. | ChemMedChem 20070501 |
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