2-[(2-Chloro-4-fluoro-5-nitrophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone

HCID 20032374
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Basic information

Standard SMILES
CC1(C)CON(Cc2cc([N+](=O)[O-])c(F)cc2Cl)C1=O
InChIKey
RXHDSTQTHJLHPA-UHFFFAOYSA-N
Molecular formula
C12H12ClFN2O4
Average molar mass
302.68 g/mol
Monoisotopic mass
302.0469627

Names & identifiers

Preferred name
2-[(2-Chloro-4-fluoro-5-nitrophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone
IUPAC
2-[(2-chloro-4-fluoro-5-nitrophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

Names & synonyms

SCHEMBL10575585RXHDSTQTHJLHPA-UHFFFAOYSA-N2-[(2-chloro-4-fluoro-5-nitrophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone

Database identifiers

PubChem CID
20032374

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
75.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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