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3-Chloro-2-fluorophenyl acetate

HCID 66968995
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)Oc1cccc(Cl)c1F
InChIKey
MAAVVQJSGFNDRK-UHFFFAOYSA-N
Molecular formula
C8H6ClFO2
Average molar mass
188.58 g/mol

Names & identifiers

Preferred name
3-Chloro-2-fluorophenyl acetate
IUPAC
(3-chloro-2-fluorophenyl) acetate

Names & synonyms

SCHEMBL12600723-chloro-2-fluorophenyl acetateMAAVVQJSGFNDRK-UHFFFAOYSA-N

Database identifiers

PubChem CID
66968995

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
174

Related reactions

1 records
New reaction record
HRID 1362480 reaction equation
HRID 1362480As reactantuspto-grants-2011_02

Compound notes

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