Basic information
- CAS
116758-92-0- Standard SMILES
O=C(O)Cc1sc(/C=C/c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1- InChIKey
SLVHFJZXXLSDTB-XCVCLJGOSA-N- Molecular formula
- C19H13BrClNO2S
- Average molar mass
- 434.7 g/mol
- Monoisotopic mass
- 432.95389
Names & identifiers
- Preferred name
- 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)-
- IUPAC
- 2-[4-(4-bromophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Names & synonyms
5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)-116758-92-0RefChem:10733294-(4-Bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)-5-thiazoleacetic acid
Database identifiers
- CAS
116758-92-0- PubChem CID
- 6450652
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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