3-Hydroxy-4-(2-nitro-4-trifluoromethylphenoxy)benzaldehyde
Basic information
- CAS
680185-90-4- Standard SMILES
O=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c1- InChIKey
RNWUWDOXMDRLMC-UHFFFAOYSA-N- Molecular formula
- C14H8F3NO5
- Average molar mass
- 327.21 g/mol
- Monoisotopic mass
- 327.03545684
Names & identifiers
- Preferred name
- 3-Hydroxy-4-(2-nitro-4-trifluoromethylphenoxy)benzaldehyde
- IUPAC
- 3-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
- English name
- 3-Hydroxy-4-(2-nitro-4-trifluoromethyl-phenoxy)-benzaldehyde
- Molecular formula
- C14H8F3NO5
- Molecular weight
- 327.21
Names & synonyms
680185-90-43-hydroxy-4-(2-nitro-4-trifluoromethylphenoxy)benzaldehyde3-Hydroxy-4-(2-nitro-4-(trifluoromethyl)phenoxy)benzaldehyde3-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde3-Hydroxy-4-(2-nitro-4-trifluoromethyl-phenoxy)-benzaldehydeDTXSID903747423-hydroxy-4-(2-nitro-4-trifluoromethyl-phenoxy)benzaldehydeBenzaldehyde, 3-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]-
Database identifiers
- CAS
680185-90-4- PubChem CID
- 2759321
- DTXSID
DTXSID90374742
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 382.1 · 382.1±42.0 °C(Predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- pka
- 7.94 · 7.94±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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