Basic information
- CAS
289504-63-8- Standard SMILES
Clc1ccc(-c2csc(-c3[nH]ncc3Br)n2)cc1- InChIKey
GKIOUGFYVSHEDN-UHFFFAOYSA-N- Molecular formula
- C12H7BrClN3S
- Average molar mass
- 340.63 g/mol
- Monoisotopic mass
- 338.92326
Names & identifiers
- Preferred name
- 2-(4-Bromo-1H-pyrazol-3-yl)-4-(4-chlorophenyl)thiazole
- IUPAC
- 2-(4-bromo-1H-pyrazol-5-yl)-4-(4-chlorophenyl)-1,3-thiazole
Names & synonyms
Maybridge3_0049632-(4-Bromo-1H-pyrazol-3-yl)-4-(4-chlorophenyl)thiazoleDTXSID801209899HMS1445B13CCG-249059IDI1_016350289504-63-82-(4-Bromo-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole
Database identifiers
- CAS
289504-63-8- PubChem CID
- 2727345
- DTXSID
DTXSID801209899
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…