Basic information
- CAS
41036-07-1- Standard SMILES
C=C(C)C(=O)OCCOC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O- InChIKey
RFTDVYIXQINTMK-UHFFFAOYSA-N- Molecular formula
- C14H10Br4O6
- Average molar mass
- 593.8 g/mol
- Monoisotopic mass
- 589.72109
Names & identifiers
- Preferred name
- 1-[2-[(2-Methyl-1-oxo-2-propen-1-yl)oxy]ethyl] 3,4,5,6-tetrabromo-1,2-benzenedicarboxylate
- IUPAC
- 2,3,4,5-tetrabromo-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
Names & synonyms
SCHEMBL10717061DTXSID8011218431-[2-[(2-Methyl-1-oxo-2-propen-1-yl)oxy]ethyl] 3,4,5,6-tetrabromo-1,2-benzenedicarboxylate41036-07-12,3,4,5-Tetrabromo-6-({2-[(2-methylprop-2-enoyl)oxy]ethoxy}carbonyl)benzoic acid
Database identifiers
- CAS
41036-07-1- PubChem CID
- 20162049
- DTXSID
DTXSID801121843
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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