4-Methylphenyl dichloroacetate
Basic information
- CAS
18133-58-9- Standard SMILES
Cc1ccc(OC(=O)C(Cl)Cl)cc1- InChIKey
QWSKTKPSTHOFMI-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O2
- Average molar mass
- 219.06 g/mol
- Monoisotopic mass
- 217.9901349
Names & identifiers
- Preferred name
- 4-Methylphenyl dichloroacetate
- IUPAC
- (4-methylphenyl) 2,2-dichloroacetate
Names & synonyms
4-methylphenyl dichloroacetate18133-58-9DTXSID10288357RefChem:294649DTXCID90239504NSC55408SCHEMBL9673357NSC-55408
Database identifiers
- CAS
18133-58-9- PubChem CID
- 244491
- DTXSID
DTXSID10288357- Nikkaji
- J1.157.149B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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