N-{5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}propanamide
Basic information
- CAS
50594-56-4- Standard SMILES
CCC(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
ZWWJDOYHTMVASS-UHFFFAOYSA-N- Molecular formula
- C16H12ClF3N2O4
- Average molar mass
- 388.72 g/mol
- Monoisotopic mass
- 388.043769
Names & identifiers
- Preferred name
- N-{5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}propanamide
- IUPAC
- N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]propanamide
Names & synonyms
N-{5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}propanamide50594-56-4DTXSID30514064ZWWJDOYHTMVASS-UHFFFAOYSA-N
Database identifiers
- CAS
50594-56-4- PubChem CID
- 12960232
- DTXSID
DTXSID30514064
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 515
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…