Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester
Basic information
- CAS
2720-17-4- Standard SMILES
CCP(=S)(OC)OCc1cc(Cl)c(Br)cc1Cl- InChIKey
OYQUDUSSIXTVCZ-UHFFFAOYSA-N- Molecular formula
- C10H12BrCl2O2PS
- Average molar mass
- 378 g/mol
- Monoisotopic mass
- 375.88561
Names & identifiers
- Preferred name
- Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester
- IUPAC
- (4-bromo-2,5-dichlorophenyl)methoxy-ethyl-methoxy-sulfanylidene-λ5-phosphane
Names & synonyms
CELA K-37NSC 190967ENT 27,373BRN 2290299AI3-27373O-(4-Bromo-2,5-dichlorophenyl) O-ethyl ethylphosphonothioate2720-17-4Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl esterRefChem:370715DTXSID70949932O-[(4-Bromo-2,5-dichlorophenyl)methyl] O-methyl ethylphosphonothioate
Database identifiers
- CAS
2720-17-4- PubChem CID
- 75939
- DTXSID
DTXSID70949932
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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