Basic information
- Standard SMILES
COC(=O)/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc(Br)s1- InChIKey
XSQHBQKNGHXJLT-FLIBITNWSA-N- Molecular formula
- C15H10BrClO3S
- Average molar mass
- 385.7 g/mol
Names & identifiers
- Preferred name
- (Z)-methyl 2-(5-bromothiophene-2-carbonyl)-3-(4-chlorophenyl)acrylate
- IUPAC
- methyl (Z)-2-(5-bromothiophene-2-carbonyl)-3-(4-chlorophenyl)prop-2-enoate
Names & synonyms
SCHEMBL11973221XSQHBQKNGHXJLT-FLIBITNWSA-N(Z)-methyl 2-(5-bromothiophene-2-carbonyl)-3-(4-chlorophenyl)acrylatemethyl (2Z)-2-[(5-bromo-2-thienyl)carbonyl]-3-(4-chlorophenyl)acrylate
Database identifiers
- PubChem CID
- 68183162
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Related reactions
2 records
Compound notes
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