CP 40298

HCID 69778

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Basic information

CAS: 740-20-5
Standard SMILES: C=C(Cl)COP(C)(=S)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIKey: MXRVWSWHANYETE-UHFFFAOYSA-N
Molecular formula: C11H10ClF3NO4PS
Average molar mass: 375.69 g/mol
Monoisotopic mass: 374.9708782

Names & identifiers

Preferred name: CP 40298
IUPAC: 2-chloroprop-2-enoxy-methyl-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-λ5-phosphane

Names & synonyms

Monsanto CP-40298ENT 25,789CP-40298740-20-5Phosphonothioic acid, methyl-, O-2-chloroallyl O-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl) esterCP 40298O-(2-Chloro-2-propenyl) O-(4-nitro-3-(trifluoromethyl)phenyl)methylphosphonothioateRefChem:334479o-(2-chloroprop-2-en-1-yl) o-[4-nitro-3-(trifluoromethyl)phenyl] methylphosphonothioateDTXSID30995278

Database identifiers

CAS: 740-20-5
PubChem CID: 69778
DTXSID: DTXSID30995278

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 96.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 485

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