Basic information
- CAS
3954-73-2- Standard SMILES
CP(=S)(OCCCCCl)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1- InChIKey
RMCKJMQDQHLYFV-UHFFFAOYSA-N- Molecular formula
- C12H14ClF3NO4PS
- Average molar mass
- 391.73 g/mol
- Monoisotopic mass
- 391.0021783
Names & identifiers
- Preferred name
- Ent 25788
- IUPAC
- 4-chlorobutoxy-methyl-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-λ5-phosphane
Names & synonyms
3954-73-2Monsanto CP-40296ENT 25788CELA K 159K 159Phosphonothioic acid, methyl-, O-(4-chlorobutyl) O-(4-nitro-3-(trifluoromethyl)phenyl) esterENT 25,788CP 40296AI3-25788O-(4-Chlorobutyl) O-(4-nitro-3-(trifluoromethyl)phenyl)methylphosphonothioatePhosphonothioic acid, methyl-, O-(4-chlorobutyl) O-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl) esterRefChem:339599
Show more names
4-chlorobutoxy-methyl-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-lambda5-phosphaneDTXSID70960147AKOS040751692O-(4-Chlorobutyl) O-[4-nitro-3-(trifluoromethyl)phenyl] methylphosphonothioate
Database identifiers
- CAS
3954-73-2- PubChem CID
- 77558
- DTXSID
DTXSID70960147
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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