Basic information
- CAS
116758-96-4- Standard SMILES
O=C(O)Cc1sc(/C=C/c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1- InChIKey
CRXQJQSYFMXSMG-XCVCLJGOSA-N- Molecular formula
- C19H13BrClNO2S
- Average molar mass
- 434.7 g/mol
- Monoisotopic mass
- 432.95389
Names & identifiers
- Preferred name
- 5-Thiazoleacetic acid, 2-(2-(4-bromophenyl)ethenyl)-4-(4-chlorophenyl)-
- IUPAC
- 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
Names & synonyms
5-Thiazoleacetic acid, 2-(2-(4-bromophenyl)ethenyl)-4-(4-chlorophenyl)-116758-96-4RefChem:10733122-(2-(4-Bromophenyl)ethenyl)-4-(4-chlorophenyl)-5-thiazoleacetic acid
Database identifiers
- CAS
116758-96-4- PubChem CID
- 6450656
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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