4-Chloro-2-chloromethyl-5-methyl-4-isoxazolin-3-one

HCID 20332913
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Basic information

Standard SMILES
Cc1on(CCl)c(=O)c1Cl
InChIKey
HNZGJZUFSXMGGO-UHFFFAOYSA-N
Molecular formula
C5H5Cl2NO2
Average molar mass
182 g/mol
Monoisotopic mass
180.9697338

Names & identifiers

Preferred name
4-Chloro-2-chloromethyl-5-methyl-4-isoxazolin-3-one
IUPAC
4-chloro-2-(chloromethyl)-5-methyl-1,2-oxazol-3-one

Names & synonyms

SCHEMBL11420825HNZGJZUFSXMGGO-UHFFFAOYSA-N4-chloro-2-chloromethyl-5-methyl-4-isoxazolin-3-one

Database identifiers

PubChem CID
20332913

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Related reactions

2 records
New reaction record

Compound notes

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