Basic information
- CAS
35422-42-5- Standard SMILES
O=C(O)COc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
HRFHLWCIWWSCDA-UHFFFAOYSA-N- Molecular formula
- C16H11ClF3NO4
- Average molar mass
- 373.71 g/mol
- Monoisotopic mass
- 373.03287
Names & identifiers
- Preferred name
- Acetic acid, (4-chloro-2-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)phenoxy)-
- IUPAC
- 2-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid
Names & synonyms
35422-42-5Acetic acid, (4-chloro-2-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)phenoxy)-Acetic acid, (4-chloro-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-DTXSID10188909(4-Chloro-2-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)phenoxy)acetic acidRefChem:316254DTXCID20111400(4-chloro-2-{[3-(trifluoromethyl)phenyl]carbamoyl}phenoxy)acetic acid
Database identifiers
- CAS
35422-42-5- PubChem CID
- 215313
- DTXSID
DTXSID10188909
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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