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Methyl 2,3,4,6-tetrafluorobenzoate

HCID 20078034
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)c1c(F)cc(F)c(F)c1F
InChIKey
PXXRNDMEWYJEDI-UHFFFAOYSA-N
Molecular formula
C8H4F4O2
Average molar mass
208.11 g/mol

Names & identifiers

Preferred name
Methyl 2,3,4,6-tetrafluorobenzoate
IUPAC
methyl 2,3,4,6-tetrafluorobenzoate

Names & synonyms

methyl 2,3,4,6-tetrafluorobenzoate53001-68-6SCHEMBL1998427PXXRNDMEWYJEDI-UHFFFAOYSA-NMFCD14698085AKOS016015283

Database identifiers

PubChem CID
20078034

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
223

Related reactions

3 records
New reaction record
HRID 5570 reaction equation
HRID 5570As reactantuspto-grants-1993_09
HRID 1226822 reaction equation
HRID 1226822As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1654489 reaction equation
HRID 1654489As reactantuspto-grants-1995_04

Compound notes

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