N-[(5-chloro-2-methylphenoxy)-methylphosphoryl]-4-(trifluoromethylsulfanyl)aniline
Completing data — refresh the page later to see the latest
Basic information
- CAS
352536-27-7- Standard SMILES
Cc1ccc(Cl)cc1OP(C)(=O)Nc1ccc(SC(F)(F)F)cc1- InChIKey
LPGHZQPAFZNDDA-UHFFFAOYSA-N- Molecular formula
- C15H14ClF3NO2PS
- Average molar mass
- 395.8 g/mol
- Monoisotopic mass
- 395.012349
Names & identifiers
- Preferred name
- N-[(5-chloro-2-methylphenoxy)-methylphosphoryl]-4-(trifluoromethylsulfanyl)aniline
- IUPAC
- N-[(5-chloro-2-methylphenoxy)-methylphosphoryl]-4-(trifluoromethylsulfanyl)aniline
- English name
- 5-chloro-2-methylphenyl P-methyl-N-{4-[(trifluoromethyl)sulfanyl]phenyl}phosphonamidoate
- Molecular formula
- C15H14ClF3NO2PS
- Molecular weight
- 395.76
Names & synonyms
5-chloro-2-methylphenyl P-methyl-N-{4-[(trifluoromethyl)sulfanyl]phenyl}phosphonamidoateN-[(5-chloro-2-methylphenoxy)-methylphosphoryl]-4-(trifluoromethylsulfanyl)anilinePhosphonamidic acid, P-methyl-N-[4-[(trifluoromethyl)thio]phenyl]-, 5-chloro-2-methylphenyl ester
Database identifiers
- CAS
352536-27-7- PubChem CID
- 1205646
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 398.6 · 398.6±52.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -2.28 · -2.28±0.50(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…