Dichloroacetic acid 3-methylbutyl ester
Basic information
- CAS
37587-83-0- Standard SMILES
CC(C)CCOC(=O)C(Cl)Cl- InChIKey
UQQSGXRKRFDREY-UHFFFAOYSA-N- Molecular formula
- C7H12Cl2O2
- Average molar mass
- 199.07 g/mol
- Monoisotopic mass
- 198.021435
Names & identifiers
- Preferred name
- Dichloroacetic acid 3-methylbutyl ester
- IUPAC
- 3-methylbutyl 2,2-dichloroacetate
- English name
- 3-methylbutyl 2,2-dichloroacetate
- Molecular formula
- C7H12Cl2O2
- Molecular weight
- 0
Names & synonyms
Dichloroacetic acid 3-methylbutyl ester37587-83-0DTXSID00191023Dichloroacetic acid, 3-methylbutyl esterAcetic acid, dichloro, 3-methylbutyl esterRefChem:133034DTXCID10113514UQQSGXRKRFDREY-UHFFFAOYSA-NIsopentyl dichloroacetateIsopentyl dichloroacetate #3-Methylbutyl dichloroacetateSCHEMBL28808761
Show more names
3-methylbutyl 2,2-dichloroacetate
Database identifiers
- CAS
37587-83-0- PubChem CID
- 142171
- DTXSID
DTXSID00191023
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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