Basic information
- Standard SMILES
CC/C(=C\CCC(=O)O)c1cc(Br)cs1- InChIKey
YYYVEXHZHSTQOV-XBXARRHUSA-N- Molecular formula
- C11H13BrO2S
- Average molar mass
- 289.19 g/mol
Names & identifiers
- Preferred name
- (e)-5-(4-Bromo-2-thienyl)-4-heptenoic acid
- IUPAC
- (E)-5-(4-bromothiophen-2-yl)hept-4-enoic acid
Names & synonyms
SCHEMBL6562935YYYVEXHZHSTQOV-XBXARRHUSA-N(e)-5-(4-bromo-2-thienyl)-4-heptenoic acid
Database identifiers
- PubChem CID
- 69824575
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
2 records
Compound notes
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