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3-(4-Fluoro-2-methyl-phenyl)-acrylic acid ethyl ester

HCID 53717724
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)C=Cc1ccc(F)cc1C
InChIKey
CFBINJFYEAWKNC-UHFFFAOYSA-N
Molecular formula
C12H13FO2
Average molar mass
208.23 g/mol

Names & identifiers

Preferred name
3-(4-Fluoro-2-methyl-phenyl)-acrylic acid ethyl ester
IUPAC
ethyl 3-(4-fluoro-2-methylphenyl)prop-2-enoate

Names & synonyms

SCHEMBL4514546CFBINJFYEAWKNC-UHFFFAOYSA-N3-(4-Fluoro-2-methyl-phenyl)-acrylic acid ethyl ester

Database identifiers

PubChem CID
53717724

Properties

Computed structural properties

XLogP
3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
238

Related reactions

7 records
New reaction record
HRID 141315 reaction equation
HRID 141315As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 189733 reaction equation
HRID 189733As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 295683 reaction equation
HRID 295683As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 690256 reaction equation
HRID 690256As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1822283 reaction equation
HRID 1822283As reactantuspto-grants-2009_10
HRID 1822340 reaction equation
HRID 1822340As productuspto-grants-2009_10
HRID 1822342 reaction equation
HRID 1822342As reactantuspto-grants-2009_10

Compound notes

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