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Methyl 3-(2,4-difluorophenyl)prop-2-enoate (HCID 53433282)|Huagongshe
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Compound
Methyl 3-(2,4-difluorophenyl)prop-2-enoate
HCID
53433282
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COC(=O)C=Cc1ccc(F)cc1F
InChIKey
HLMDQMSXOKRYDF-UHFFFAOYSA-N
Molecular formula
C10H8F2O2
Average molar mass
198.17 g/mol
Names & identifiers
Preferred name
Methyl 3-(2,4-difluorophenyl)prop-2-enoate
IUPAC
methyl 3-(2,4-difluorophenyl)prop-2-enoate
Names & synonyms
methyl 3-(2,4-difluorophenyl)prop-2-enoate
SCHEMBL7413912
LHA75821
CS-0038427
M50099
Database identifiers
PubChem CID
53433282
Properties
Computed structural properties
XLogP
2.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
228
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
122204
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
302868
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1127191
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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