3-Chloro-7-nitro-1,2-benzisothiazole

HCID 198232

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Basic information

CAS: 41533-75-9
Standard SMILES: O=[N+]([O-])c1cccc2c(Cl)nsc12
InChIKey: FEDMYSJHEMCIBD-UHFFFAOYSA-N
Molecular formula: C7H3ClN2O2S
Average molar mass: 214.63 g/mol
Monoisotopic mass: 213.9603762

Names & identifiers

Preferred name: 3-Chloro-7-nitro-1,2-benzisothiazole
IUPAC: 3-chloro-7-nitro-1,2-benzothiazole

Names & synonyms

3-Chloro-7-nitro-1,2-benzisothiazole1,2-Benzisothiazole, 3-chloro-7-nitro-41533-75-93-chloro-7-nitro-1,2-benzothiazoleCCRIS 6357BRN 1112590SCHEMBL8392625DTXSID50194403FEDMYSJHEMCIBD-UHFFFAOYSA-N

Database identifiers

CAS: 41533-75-9
PubChem CID: 198232
DTXSID: DTXSID50194403
Nikkaji: J414.042G

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 87 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 223

Related reactions

1 records

New reaction record

HRID 1183795As productuspto-grants-2014_03

Compound notes

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