Ethyl 5-[3-(trifluoromethyl)phenoxy]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate
Basic information
- CAS
338957-80-5- Standard SMILES
CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1- InChIKey
SRCNHSVMKQIVJI-UHFFFAOYSA-N- Molecular formula
- C20H13F6N3O3
- Average molar mass
- 457.3 g/mol
- Monoisotopic mass
- 457.08611026
Names & identifiers
- Preferred name
- Ethyl 5-[3-(trifluoromethyl)phenoxy]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate
- IUPAC
- ethyl 5-[3-(trifluoromethyl)phenoxy]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate
Names & synonyms
Ethyl 5-[3-(trifluoromethyl)phenoxy]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate338957-80-5Ethyl 5-(3-(trifluoromethyl)phenoxy)-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-6-carboxylateDTXSID601117587AKOS0050951155K-644SEthyl5-[3-(trifluoromethyl)phenoxy]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate
Database identifiers
- CAS
338957-80-5- PubChem CID
- 6404563
- DTXSID
DTXSID601117587
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 633
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Compound notes
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