Basic information
- CAS
70977-83-2- Standard SMILES
Cc1cc(N)c(O)c(C(=O)C(F)(F)F)c1- InChIKey
XKGVPWJQNNQAIB-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO2
- Average molar mass
- 219.16 g/mol
- Monoisotopic mass
- 219.05071298
Names & identifiers
- Preferred name
- 1-(3-Amino-2-hydroxy-5-methylphenyl)-2,2,2-trifluoroethan-1-one
- IUPAC
- 1-(3-amino-2-hydroxy-5-methylphenyl)-2,2,2-trifluoroethanone
- English name
- Ethanone, 1-(3-amino-2-hydroxy-5-methylphenyl)-2,2,2-trifluoro- (9CI)
- Molecular formula
- C9H8F3NO2
- Molecular weight
- 219.1605296
Names & synonyms
70977-83-2DTXSID505446461-(3-Amino-2-hydroxy-5-methylphenyl)-2,2,2-trifluoroethan-1-oneRefChem:224169DTXCID404954311-(3-Amino-2-hydroxy-5-methylphenyl)-2,2,2-trifluoroethanoneEthanone, 1-(3-amino-2-hydroxy-5-methylphenyl)-2,2,2-trifluoro- (9CI)DB-276034ETHANONE, 1-(3-AMINO-2-HYDROXY-5-METHYLPHENYL)-2,2,2-TRIFLUORO-
Database identifiers
- CAS
70977-83-2- PubChem CID
- 13596205
- DTXSID
DTXSID50544646
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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