Butyric acid, 2-(4-chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)-
Basic information
- CAS
17959-86-3- Standard SMILES
CCC(Oc1ccc(Cl)cc1NC(=O)c1cccc(C(F)(F)F)c1)C(=O)O- InChIKey
YMUUKELKTDCYSV-UHFFFAOYSA-N- Molecular formula
- C18H15ClF3NO4
- Average molar mass
- 401.8 g/mol
- Monoisotopic mass
- 401.0641701
Names & identifiers
- Preferred name
- Butyric acid, 2-(4-chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)-
- IUPAC
- 2-[4-chloro-2-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]butanoic acid
Names & synonyms
BRN 24032642-(4-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)butyric acid17959-86-3BUTYRIC ACID, 2-(4-CHLORO-2-(alpha,alpha,alpha-TRIFLUORO-m-TOLUAMIDO)PHENOXY)-RefChem:331252DTXSID809392432-[4-Chloro-2-({hydroxy[3-(trifluoromethyl)phenyl]methylidene}amino)phenoxy]butanoic acid
Database identifiers
- CAS
17959-86-3- PubChem CID
- 28851
- DTXSID
DTXSID80939243
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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