3-(3,4-Difluoro-2-hydroxyphenyl)-3-oxopropanal
Basic information
- CAS
816451-05-5- Standard SMILES
O=CCC(=O)c1ccc(F)c(F)c1O- InChIKey
RTRKLEJYYQTTBF-UHFFFAOYSA-N- Molecular formula
- C9H6F2O3
- Average molar mass
- 200.14 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-Difluoro-2-hydroxyphenyl)-3-oxopropanal
- IUPAC
- 3-(3,4-difluoro-2-hydroxyphenyl)-3-oxopropanal
- English name
- Benzenepropanal, 3,4-difluoro-2-hydroxy--ba--oxo- (9CI)
- Molecular formula
- C9H6F2O3
- Molecular weight
- 200.14
Names & synonyms
SCHEMBL4943886Benzenepropanal, 3,4-difluoro-2-hydroxy--bBenzenepropanal, 3,4-difluoro-2-hydroxy-β-oxo-Benzenepropanal,3,4-difluoro-2-hydroxy--bta--oxo-(9CI)Benzenepropanal, 3,4-difluoro-2-hydroxy--ba--oxo- (9CI)
Database identifiers
- CAS
816451-05-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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