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Zonisamide USP Related Compound A

CAT: 1596-AR-Z01420-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01420-01Size:10 Units
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CAS Number
342623-49-8
Synonyms
Benzo[d]isoxazol-3-ylmethanesulfonate, sodium salt (1:1)
Molecular Formula
C8H7NO4S
Molecular Weight
212.20 22.99
API Name
Zonisamide

Chemical Information

1,2-Benzisoxazole-3-methanesulfonic acid
CAS Number342623-49-8
PubChem CID9877771
IUPAC Name1,2-benzoxazol-3-ylmethanesulfonic acid
Molecular FormulaC8H7NO4S
Molecular Weight213.21
XLogP0.4
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity297
SMILES
C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)O
InChI
InChI=1S/C8H7NO4S/c10-14(11,12)5-7-6-3-1-2-4-8(6)13-9-7/h1-4H,5H2,(H,10,11,12)
InChIKey
BNWNQJBNOQDMHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Benzisoxazole-3-methanesulfonic acid
CAS: 342623-49-8
CID: 9877771
Formula: C8H7NO4S
MW: 213.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.21
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass213.00957888
Monoisotopic Mass213.00957888
Topological Polar Surface Area88.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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