1,1,1-Trichloropropan-2-yl 2-bromo-3-methylbutanoate
Basic information
- CAS
64059-37-6- Standard SMILES
CC(C)C(Br)C(=O)OC(C)C(Cl)(Cl)Cl- InChIKey
XUWCEPTXFCXEEX-UHFFFAOYSA-N- Molecular formula
- C8H12BrCl3O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 323.90863
Names & identifiers
- Preferred name
- 1,1,1-Trichloropropan-2-yl 2-bromo-3-methylbutanoate
- IUPAC
- 1,1,1-trichloropropan-2-yl 2-bromo-3-methylbutanoate
Names & synonyms
64059-37-6DTXSID709825461,1,1-trichloropropan-2-yl 2-bromo-3-methylbutanoateRefChem:1051666DTXCID101409808Trichloroisopropyl 2-bromoisovalerate2-Bromoisovaleric acid, ester with trichlorisopropanolISOVALERIC ACID, 2-BROMO-, 1,1,1-TRICHLOROISOPROPYL ESTER
Database identifiers
- CAS
64059-37-6- PubChem CID
- 47238
- DTXSID
DTXSID70982546
Properties
Computed structural properties
- XLogP
- 4.6
- 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
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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