Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester

HCID 198380

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Basic information

CAS: 59417-72-0
Standard SMILES: COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C=O)c1
InChIKey: FTYFFKWTWYUKLS-UHFFFAOYSA-N
Molecular formula: C9H10NO6PS
Average molar mass: 291.22 g/mol
Monoisotopic mass: 290.99664521

Names & identifiers

Preferred name: Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester
IUPAC: 5-dimethoxyphosphinothioyloxy-2-nitrobenzaldehyde

Names & synonyms

Formylfenitrothion3-FormylfenitrothionBRN 299247759417-72-0Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) esterDTXSID00208145RefChem:371356DTXCID20130636O-(3-formyl-4-nitrophenyl) O,O-dimethyl phosphorothioatePhosphorothioic acid, O-(3-formyl-4-nitrophenyl) O,O-dimethyl ester

Database identifiers

CAS: 59417-72-0
PubChem CID: 198380
DTXSID: DTXSID00208145
Nikkaji: J1.601.889I

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 123 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 351

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