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Home > Sulfanilamide > 87474-12-2
87474-12-2 | 1,3-Benzoxathiole-4-sulfonamide
CAS No: 87474-12-2 Catalog No: AG004FNM MDL No:
Product Description
Catalog Number:
AG004FNM
Chemical Name:
1,3-Benzoxathiole-4-sulfonamide
CAS Number:
87474-12-2
Molecular Formula:
C7H7NO3S2
Molecular Weight:
217.2654
IUPAC Name:
1,3-benzoxathiole-4-sulfonamide
InChI:
InChI=1S/C7H7NO3S2/c8-13(9,10)6-3-1-2-5-7(6)12-4-11-5/h1-3H,4H2,(H2,8,9,10)
InChI Key:
MMSGXOFPUNPXJP-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1cccc2c1SCO2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.257g/mol
Monoisotopic Mass:
216.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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