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3-(2-Chloro-4-fluorophenoxy)-1-azetidinecarbonyl chloride

HCID 15042234
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cl)N1CC(Oc2ccc(F)cc2Cl)C1
InChIKey
AVPDNNDWOMCMOA-UHFFFAOYSA-N
Molecular formula
C10H8Cl2FNO2
Average molar mass
264.08 g/mol

Names & identifiers

Preferred name
3-(2-Chloro-4-fluorophenoxy)-1-azetidinecarbonyl chloride
IUPAC
3-(2-chloro-4-fluorophenoxy)azetidine-1-carbonyl chloride

Names & synonyms

SCHEMBL9450771AVPDNNDWOMCMOA-UHFFFAOYSA-N3-(2-Chloro-4-fluorophenoxy)-1-azetidinecarbonyl chloride

Database identifiers

PubChem CID
15042234

Properties

Computed structural properties

XLogP
3
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
274

Related reactions

4 records
New reaction record
HRID 214776 reaction equation
HRID 214776As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2162562 reaction equation
HRID 2162562As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2371728 reaction equation
HRID 2371728As productuspto-grants-1992_03
HRID 2371747 reaction equation
HRID 2371747As reactantuspto-grants-1992_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes