Basic information
- Standard SMILES
COC(=O)c1cc(Br)c(/C=C\C(=O)OC(C)(C)C)c(Br)c1- InChIKey
CXTYRGJJXSADKA-WAYWQWQTSA-N- Molecular formula
- C15H16Br2O4
- Average molar mass
- 420.09 g/mol
Names & identifiers
- Preferred name
- Methyl 3,5-dibromo-4-[(1Z)-3-tert-butoxy-3-oxoprop-1-enyl]benzoate
- IUPAC
- methyl 3,5-dibromo-4-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoate
Names & synonyms
SCHEMBL6859973CXTYRGJJXSADKA-WAYWQWQTSA-NMethyl 3,5-dibromo-4-[(1Z)-3-tert-butoxy-3-oxoprop-1-enyl]benzoate
Database identifiers
- PubChem CID
- 69919932
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
1 records
Compound notes
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