Acetic acid, (((1-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)ethylidene)amino)oxy)-, methyl ester
Basic information
- CAS
87714-68-9- Standard SMILES
COC(=O)CON=C(C)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
UIFNWVTVKRWICH-UHFFFAOYSA-N- Molecular formula
- C18H14ClF3N2O6
- Average molar mass
- 446.8 g/mol
- Monoisotopic mass
- 446.0492484
Names & identifiers
- Preferred name
- Acetic acid, (((1-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)ethylidene)amino)oxy)-, methyl ester
- IUPAC
- methyl 2-[1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethylideneamino]oxyacetate
Names & synonyms
87714-68-9PPG 1013Acetic acid, (((1-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)ethylidene)amino)oxy)-, methyl esterSCHEMBL29395132DTXSID70878253methyl {[(1-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}ethylidene)amino]oxy}acetateMethyl 2-[[[1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethylidene]amino]oxy]acetate
Database identifiers
- CAS
87714-68-9- PubChem CID
- 92415
- DTXSID
DTXSID70878253
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 642
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…