Basic information
- CAS
6238-85-3- Standard SMILES
Cc1ccc(OCC(=O)O)c(NC(=O)c2cccc(C(F)(F)F)c2)c1- InChIKey
ITXKMRBMLMHYQO-UHFFFAOYSA-N- Molecular formula
- C17H14F3NO4
- Average molar mass
- 353.29 g/mol
- Monoisotopic mass
- 353.08749241
Names & identifiers
- Preferred name
- Acetic acid, ((2-(alpha,alpha,alpha-trifluoro-m-toluamido)-p-tolyl)oxy)-
- IUPAC
- 2-[4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetic acid
Names & synonyms
BRN 2400001ACETIC ACID, ((2-(alpha,alpha,alpha-TRIFLUORO-m-TOLUAMIDO)-p-TOLYL)OXY)-6238-85-3((2-(m-(Trifluoromethyl)benzamido)-p-tolyl)oxy)acetic acidDTXSID40211436RefChem:315905DTXCID40133927{4-Methyl-2-[3-(trifluoromethyl)benzamido]phenoxy}acetic acid
Database identifiers
- CAS
6238-85-3- PubChem CID
- 22606
- DTXSID
DTXSID40211436
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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