3-(3,5-Difluoro-4-methylphenyl)propionaldehyde
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Basic information
- CAS
1036396-21-0- Standard SMILES
Cc1c(F)cc(CCC=O)cc1F- InChIKey
YJVLBWZGVGNGNE-UHFFFAOYSA-N- Molecular formula
- C10H10F2O
- Average molar mass
- 184.18 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Difluoro-4-methylphenyl)propionaldehyde
- IUPAC
- 3-(3,5-difluoro-4-methylphenyl)propanal
- English name
- Benzenepropanal, 3,5-difluoro-4-Methyl- (or 3-(3,5-Difluoro-4-Methylphenyl)propionaldehyde )
- Molecular formula
- C10H10F2O
- Molecular weight
- 184.18
Names & synonyms
1036396-21-03-(3,5-DIFLUORO-4-METHYLPHENYL)PROPANALBenzenepropanal, 3,5-difluoro-4-methyl- (or 3-(3,5-Difluoro-4-methylphenyl)propionaldehyde )3-(3,5-difluoro-4-methylphenyl)propionaldehydeSCHEMBL585097YJVLBWZGVGNGNE-UHFFFAOYSA-NBenzenepropanal, 3,5-difluoro-4-methyl-(or 3-(3,5-Difluoro-4-methylphenyl)propionaldehyde)DB-3306563-(3,5-difluoro-4-methyl-phenyl)-propionaldehydeBenzenepropanal, 3,5-difluoro-4-methyl-
Database identifiers
- CAS
1036396-21-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 214.7 · 214.7±35.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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