3-Acetyl-7-chloro-2(3H)-benzothiazolone

HCID 20522279
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Basic information

Standard SMILES
CC(=O)n1c(=O)sc2c(Cl)cccc21
InChIKey
FFYHXCKWFYLIEZ-UHFFFAOYSA-N
Molecular formula
C9H6ClNO2S
Average molar mass
227.67 g/mol

Names & identifiers

Preferred name
3-Acetyl-7-chloro-2(3H)-benzothiazolone
IUPAC
3-acetyl-7-chloro-1,3-benzothiazol-2-one

Names & synonyms

SCHEMBL11210049FFYHXCKWFYLIEZ-UHFFFAOYSA-N3-Acetyl-7-chloro-2(3H)-benzothiazolone

Database identifiers

PubChem CID
20522279

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
62.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
14

Related reactions

3 records
New reaction record

Compound notes

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