Basic information
- CAS
116758-83-9- Standard SMILES
O=C(O)Cc1sc(/C=C/c2ccccc2F)nc1-c1ccc(Br)cc1- InChIKey
GMDCVSVLRBHVJZ-JXMROGBWSA-N- Molecular formula
- C19H13BrFNO2S
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 416.98344
Names & identifiers
- Preferred name
- 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(2-fluorophenyl)ethenyl)-
- IUPAC
- 2-[4-(4-bromophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Names & synonyms
5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(2-fluorophenyl)ethenyl)-116758-83-9RefChem:10733244-(4-Bromophenyl)-2-(2-(2-fluorophenyl)ethenyl)-5-thiazoleacetic acid
Database identifiers
- CAS
116758-83-9- PubChem CID
- 6450643
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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