(2,4-Dichlorophenyl)methyl propanoate
Basic information
- CAS
85262-94-8- Standard SMILES
CCC(=O)OCc1ccc(Cl)cc1Cl- InChIKey
ABVWCZFYRJJFFG-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O2
- Average molar mass
- 233.09 g/mol
- Monoisotopic mass
- 232.0057849
Names & identifiers
- Preferred name
- (2,4-Dichlorophenyl)methyl propanoate
- IUPAC
- (2,4-dichlorophenyl)methyl propanoate
- English name
- (2,4-dichlorophenyl)methyl propanoate
- Molecular formula
- C10H10Cl2O2
- Molecular weight
- 233.09
Names & synonyms
(2,4-dichlorophenyl)methyl propanoate85262-94-8NSC404633DTXSID90323674NSC-404633Benzenemethanol, 2,4-dichloro-, 1-propanoate
Database identifiers
- CAS
85262-94-8- PubChem CID
- 346402
- DTXSID
DTXSID90323674
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 286.1 · 286.1±25.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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