5-Bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
Basic information
- Standard SMILES
O=C(O)c1nc(-c2ccc(F)c(Cl)c2)c(Br)s1- InChIKey
DHCUJIMSQQJNGT-UHFFFAOYSA-N- Molecular formula
- C10H4BrClFNO2S
- Average molar mass
- 336.56 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
- IUPAC
- 5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
Names & synonyms
SCHEMBL12942057DHCUJIMSQQJNGT-UHFFFAOYSA-N5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
Database identifiers
- PubChem CID
- 70801643
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
3 records
Compound notes
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