ST059860
Basic information
- CAS
385376-07-8- Standard SMILES
COC(=O)c1cccc(-c2ccc(/C=C/c3cc(C(F)(F)F)[nH]c(=O)n3)o2)c1- InChIKey
TVAAUCZVFOFUCD-AATRIKPKSA-N- Molecular formula
- C19H13F3N2O4
- Average molar mass
- 390.3 g/mol
- Monoisotopic mass
- 390.08274139
Names & identifiers
- Preferred name
- ST059860
- IUPAC
- methyl 3-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoate
- English name
- benzoic acid, 3-[5-[(E)-2-[2,3-dihydro-2-oxo-6-(trifluorom
- Molecular formula
- C19H13F3N2O4
- Molecular weight
- 390.31
Names & synonyms
385376-07-8ST059860DTXSID80421219RefChem:381422DTXCID50372062METHYL 3-(5-{(E)-2-[2-OXO-6-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIMIDIN-4-YL]VINYL}-2-FURYL)BENZOATEC19H13F3N2O4methyl 3-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoateMethyl 3-(5-((e)-2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]vinyl)-2-furyl)benzoatebenzoic acid, 3-[5-[(E)-2-[2,3-dihydro-2-oxo-6-(trifluoromethyl)-4-pyrimidinyl]ethenyl]-2-furanyl]-, methyl esterMETHYL 3-(5-[(E)-2-[2-OXO-6-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIMIDIN-4-YL]VINYL]-2-FURYL)BENZOATEmethyl 3-{5-[(1E)-2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]ethenyl]furan-2-yl}benzoate
Show more names
3-[5-[2-[2-oxo-6-(trifluoromethyl)-1H-pyrimienzoic acid, 3-[5-[(E)-2-[2,3-dihydro-2-oxo-6-(trifluorombenzoic acid, 3-[5-[(E)-2-[2,3-dihydro-2-oxo-6-(trifluorommethyl 3-[5-[2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]-2-furyl]benzoatemethyl 3-(5-{(E)-2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]vinyl}-2-furymethyl 3-[5-[2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoatemethyl 3-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]-2-furyl]benzoateMethyl 3-(5-{(E)-2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]vinyl}-2-furyl)benzoat
Database identifiers
- CAS
385376-07-8- PubChem CID
- 5872045
- DTXSID
DTXSID80421219
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 714
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 6.1 · 6.10±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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