Basic information
- Standard SMILES
COC(=O)c1cc(Br)c(/C=C\C(=O)Nc2c(Cl)cccc2Cl)c(Br)c1- InChIKey
HXWSAMQGMKDTND-WAYWQWQTSA-N- Molecular formula
- C17H11Br2Cl2NO3
- Average molar mass
- 508 g/mol
- Monoisotopic mass
- 504.84827
Names & identifiers
- Preferred name
- Methyl 3,5-dibromo-4-{(1Z)-3-[(2,6-dichlorophenyl)amino]-3-oxoprop-1-enyl}benzoate
- IUPAC
- methyl 3,5-dibromo-4-[(Z)-3-(2,6-dichloroanilino)-3-oxoprop-1-enyl]benzoate
Names & synonyms
SCHEMBL6859992HXWSAMQGMKDTND-WAYWQWQTSA-NMethyl 3,5-dibromo-4-{(1Z)-3-[(2,6-dichlorophenyl)amino]-3-oxoprop-1-enyl}benzoate
Database identifiers
- PubChem CID
- 69919937
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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