Basic information
- CAS
188194-66-3- Standard SMILES
COc1cc(C(=O)C(F)(F)F)ccc1O- InChIKey
GBAYRMSYCBVSFS-UHFFFAOYSA-N- Molecular formula
- C9H7F3O3
- Average molar mass
- 220.14 g/mol
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-1-(4-hydroxy-3-methoxyphenyl)ethanone
- IUPAC
- 2,2,2-trifluoro-1-(4-hydroxy-3-methoxyphenyl)ethanone
- English name
- Ethanone, 2,2,2-trifluoro-1-(4-hydroxy-3-methoxyphenyl)- (9CI)
- Molecular formula
- C9H7F3O3
- Molecular weight
- 220.1452896
Names & synonyms
188194-66-32,2,2-Trifluoro-1-(4-hydroxy-3-methoxyphenyl)ethanoneEthanone, 2,2,2-trifluoro-1-(4-hydroxy-3-methoxyphenyl)- (9CI)2,2,2-trifluoro-1-(4-hydroxy-3-methoxyphenyl)ethan-1-oneMFCD27665747DB-276342H77381EN300-1931188Ethanone, 2,2,2-trifluoro-1-(4-hydroxy-3-methoxyphenyl)-
Database identifiers
- CAS
188194-66-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
安徽合诺生物科技有限公司0555-2761852
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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