Basic information
- Standard SMILES
COC(=O)c1cc(Br)c(/C=C\C(=O)O)c(Br)c1- InChIKey
LHHHEMVEKHGVHQ-IHWYPQMZSA-N- Molecular formula
- C11H8Br2O4
- Average molar mass
- 363.99 g/mol
Names & identifiers
- Preferred name
- (2Z)-3-[2,6-Dibromo-4-(methoxycarbonyl)phenyl]prop-2-enoic acid
- IUPAC
- (Z)-3-(2,6-dibromo-4-methoxycarbonylphenyl)prop-2-enoic acid
Names & synonyms
SCHEMBL6639230LHHHEMVEKHGVHQ-IHWYPQMZSA-N(2Z)-3-[2,6-Dibromo-4-(methoxycarbonyl)phenyl]prop-2-enoic acid
Database identifiers
- PubChem CID
- 69848595
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
1 records
Compound notes
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