Basic information
- CAS
105631-97-8- Standard SMILES
C=C(C)C(=O)OCCOc1c(Br)c(Br)c(Br)c(Br)c1Br- InChIKey
BNJMVIYUUNVKHZ-UHFFFAOYSA-N- Molecular formula
- C12H9Br5O3
- Average molar mass
- 600.7 g/mol
- Monoisotopic mass
- 595.64686
Names & identifiers
- Preferred name
- 2-(Pentabromophenoxy)ethyl 2-methylprop-2-enoate
- IUPAC
- 2-(2,3,4,5,6-pentabromophenoxy)ethyl 2-methylprop-2-enoate
Names & synonyms
105631-97-82-(Pentabromophenoxy)ethyl 2-methylprop-2-enoateSCHEMBL9719502DTXSID70603168
Database identifiers
- CAS
105631-97-8- PubChem CID
- 20162044
- DTXSID
DTXSID70603168
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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