Basic information
- CAS
89150-47-0- Standard SMILES
Cc1nc(-c2ccccc2C(F)(F)F)c(CBr)o1- InChIKey
RHVJGNWRGVKTLQ-UHFFFAOYSA-N- Molecular formula
- C12H9BrF3NO
- Average molar mass
- 320.1 g/mol
- Monoisotopic mass
- 318.98196
Names & identifiers
- Preferred name
- 5-(Bromomethyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,3-oxazole
- IUPAC
- 5-(bromomethyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,3-oxazole
Names & synonyms
89150-47-05-(Bromomethyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,3-oxazoleSCHEMBL10833670DTXSID00632805RHVJGNWRGVKTLQ-UHFFFAOYSA-N
Database identifiers
- CAS
89150-47-0- PubChem CID
- 23316601
- DTXSID
DTXSID00632805
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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