Basic information
- CAS
64047-47-8- Standard SMILES
CC(C)C(Br)C(=O)OCC(Br)(Br)Br- InChIKey
OSZOQLCMBZVJQQ-UHFFFAOYSA-N- Molecular formula
- C7H10Br4O2
- Average molar mass
- 445.77 g/mol
- Monoisotopic mass
- 441.74143
Names & identifiers
- Preferred name
- Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester
- IUPAC
- 2,2,2-tribromoethyl 2-bromo-3-methylbutanoate
- English name
- 2-Bromoisovaleric acid 2,2,2-tribromoethyl ester
- Molecular formula
- C7H10Br4O2
- Molecular weight
- 445.77
Names & synonyms
64047-47-8ISOVALERIC ACID, 2-BROMO-, 2,2,2-TRIBROMOETHYL ESTERRefChem:1087855Tribromoethyl 2-bromoisovalerate2,2,2-tribromoethyl 2-bromo-3-methylbutanoate2-Bromoisovaleric acid, ester with tribromoethanol2-Bromoisovaleric acid 2,2,2-tribromoethyl esterDTXSID50982226DB-313773Butanoic acid, 2-bromo-3-methyl-, 2,2,2-tribromoethyl ester
Database identifiers
- CAS
64047-47-8- PubChem CID
- 46700
- DTXSID
DTXSID50982226- Nikkaji
- J94.651F
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
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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