Allyl dichloroacetate
Basic information
- CAS
30895-77-3- Standard SMILES
C=CCOC(=O)C(Cl)Cl- InChIKey
UJUPTENXDPFFDP-UHFFFAOYSA-N- Molecular formula
- C5H6Cl2O2
- Average molar mass
- 169 g/mol
- Monoisotopic mass
- 167.9744848
Names & identifiers
- Preferred name
- Allyl dichloroacetate
- IUPAC
- prop-2-enyl 2,2-dichloroacetate
Names & synonyms
Allyl dichloroacetate30895-77-3dichloro-acetic acid allyl esterDichloroacetic acid, allyl esterSCHEMBL37337022-Propen-1-ol, dichloroacetateProp-2-en-1-yl dichloroacetateDTXSID40334371UJUPTENXDPFFDP-UHFFFAOYSA-N
Database identifiers
- CAS
30895-77-3- PubChem CID
- 520496
- DTXSID
DTXSID40334371
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…