Methyl 2-hydroxy-4-(2,2,2-trifluoroacetamido)benzoate
Basic information
- CAS
1092460-41-7- Standard SMILES
COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1O- InChIKey
COVMHYLZUSIQMC-UHFFFAOYSA-N- Molecular formula
- C10H8F3NO4
- Average molar mass
- 263.17 g/mol
- Monoisotopic mass
- 263.04054222
Names & identifiers
- Preferred name
- Methyl 2-hydroxy-4-(2,2,2-trifluoroacetamido)benzoate
- IUPAC
- methyl 2-hydroxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
- English name
- 2-Methyl-5-(6-phenylpyridazin-3-yl)octahydropyrrolo[3,4-c]pyrrole
- Molecular formula
- C10H8F3NO4
- Molecular weight
- 263.17
Names & synonyms
1092460-41-7METHYL 2-HYDROXY-4-(2,2,2-TRIFLUOROACETAMIDO)BENZOATEmethyl 2-hydroxy-4-[(2,2,2-trifluoroacetyl)amino]benzoateMFCD11501884Methyl2-hydroxy-4-(2,2,2-trifluoroacetamido)benzoateSCHEMBL28358007COVMHYLZUSIQMC-UHFFFAOYSA-NDTXSID501198297AR2852AKOS027334885AS-45460DB-386133
Show more names
Benzoic acid, 2-hydroxy-4-[(2,2,2-trifluoroacetyl)amino]-, methyl ester
CS-0172976F306369
Database identifiers
- CAS
1092460-41-7- PubChem CID
- 45926018
- DTXSID
DTXSID501198297
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 350.8 · 350.8±42.0 °C(Predicted)
- Density
- 1.501 · 1.501±0.06 g/cm3(Predicted)
- pka
- 8.9 · 8.90±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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