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Piroxicam Impurity 21

CAT: 1299-RM-P240321-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P240321-01Size:10 mg
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CAS Number
15448-99-4
Synonyms
2-methylbenzo[d]isothiazol-3 (2H) -one 1,1-dioxide
Molecular Formula
C8H7NO3S
Molecular Weight
197.21
Target Alternative Name
Piroxicam
Product Name Synonym
2-methylbenzo[d]isothiazol-3 (2H) -one 1,1-dioxide

Chemical Information

2-methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CAS Number15448-99-4
PubChem CID27290
IUPAC Name2-methyl-1,1-dioxo-1,2-benzothiazol-3-one
Molecular FormulaC8H7NO3S
Molecular Weight197.21
XLogP0.6
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity330
SMILES
CN1C(=O)C2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3
InChIKey
DDIIAJRLFATEEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CAS: 15448-99-4
CID: 27290
Formula: C8H7NO3S
MW: 197.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.21
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass197.01466426
Monoisotopic Mass197.01466426
Topological Polar Surface Area62.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity330
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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