N-Chlorosaccharin

CAT: 0127-OR72430-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

14070-51-0

Synonyms

2-Chloro-1,2-benzisothiazol-3 (2H) -one 1,1-Dioxide

MDL Number

MFCD00274277

Purity

98%

Smiles

ClN1C(=O)C2=C(C=CC=C2)S1(=O)=O

Storage Conditions

Store at 2-8°C

Chemical Information

N-Chlorosaccharin

CAS Number	14070-51-0
PubChem CID	4586058
IUPAC Name	2-chloro-1,1-dioxo-1,2-benzothiazol-3-one
Molecular Formula	C7H4ClNO3S
Molecular Weight	217.63
XLogP	1.2
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	334

SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)Cl

InChI

InChI=1S/C7H4ClNO3S/c8-9-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H

InChIKey

VKWMGUNWDFIWNW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14070-51-0

CID: 4586058

Formula: C7H4ClNO3S

MW: 217.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.63
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	216.9600419
Monoisotopic Mass	216.9600419
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	334
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
PAA07051-01	N-Chlorosaccharin
29083-16-7	5-CHLOROSACCHARIN
OH153454-01	N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
FH171463-01	N, N, N', N', N'', N''-Hexamethoxymethylmelamine
sc-222018B	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
TRC-H290750-10MG	N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
AR-O01213-01	N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
TRC-P225000-100MG	N,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose
sc-255378	N, N, N', N'', N''-Pentamethyldiethylenetriamine
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