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O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate

HCID 77099
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3563-52-8
Standard SMILES
CCOP(=S)(CC)Oc1ccc([N+](=O)[O-])cc1Cl
InChIKey
KOYZGOINJGYTFY-UHFFFAOYSA-N
Molecular formula
C10H13ClNO4PS
Average molar mass
309.71 g/mol
Monoisotopic mass
308.9991438

Names & identifiers

Preferred name
O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate
IUPAC
(2-chloro-4-nitrophenoxy)-ethoxy-ethyl-sulfanylidene-λ5-phosphane
English name
Ethylphosphonothioic acid O-(2-chloro-4-nitrophenyl)O-ethyl ester
Molecular weight
0

Names & synonyms

3563-52-8o-(2-chloro-4-nitrophenyl) o-ethyl ethylphosphonothioateDTXSID90957014RefChem:1093549DTXCID901384963Ethylphosphonothioic acid O-(2-chloro-4-nitrophenyl)O-ethyl esterStauffer N-2230N 2230ENT 25,754BRN 1889647AI3-25754Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-ethyl ester
Show more names
N-2230ENT-25754

Database identifiers

CAS
3563-52-8
PubChem CID
77099
DTXSID
DTXSID90957014
Nikkaji
J13.244F

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
96.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
338

Chemistry & industry

Applications

DescriptionStauffer N-2230 is a pesticide.

Related reactions

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Compound notes

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