2,4,6-Tribromophenyl 2-ethylhexanoate
Basic information
- CAS
84852-57-3- Standard SMILES
CCCCC(CC)C(=O)Oc1c(Br)cc(Br)cc1Br- InChIKey
HQVZMRPSXXNTNQ-UHFFFAOYSA-N- Molecular formula
- C14H17Br3O2
- Average molar mass
- 456.99 g/mol
- Monoisotopic mass
- 453.87787
Names & identifiers
- Preferred name
- 2,4,6-Tribromophenyl 2-ethylhexanoate
- IUPAC
- (2,4,6-tribromophenyl) 2-ethylhexanoate
- English name
- 2,4,6-tribromophenyl 2-ethylhexanoate
- Molecular formula
- C14H17Br3O2
- Molecular weight
- 457
Names & synonyms
2,4,6-Tribromophenyl 2-ethylhexanoate84852-57-3EINECS 284-371-6DTXSID901005135RefChem:82083DTXCID201432022284-371-6HQVZMRPSXXNTNQ-UHFFFAOYSA-NNS000601332-Ethylhexanoic acid 2,4,6-tribromophenyl esterHexanoic acid, 2-ethyl-, 2,4,6-tribromophenyl ester
Database identifiers
- CAS
84852-57-3- PubChem CID
- 3020179
- DTXSID
DTXSID901005135- EC Number
- 284-371-6
- Nikkaji
- J333.576C
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
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Compound notes
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