methoxycarbonylmethyl P-ethyl-2-nitro-5-(2-chloro-4-trifluoromethylphenoxy)phenylphosphinate
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Basic information
- Standard SMILES
CCP(=O)(OCC(=O)OC)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
DSULRCADNDGYHL-UHFFFAOYSA-N- Molecular formula
- C18H16ClF3NO7P
- Average molar mass
- 481.7 g/mol
Names & identifiers
- Preferred name
- methoxycarbonylmethyl P-ethyl-2-nitro-5-(2-chloro-4-trifluoromethylphenoxy)phenylphosphinate
- IUPAC
- methyl 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-ethylphosphoryl]oxyacetate
Names & synonyms
methoxycarbonylmethyl P-ethyl-2-nitro-5-(2-chloro-4-trifluoromethylphenoxy)phenylphosphinateSCHEMBL10857395
Database identifiers
- PubChem CID
- 53777321
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 690
Related reactions
2 records
Compound notes
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