Basic information
- CAS
2720-18-5- Standard SMILES
CC(C)OP(C)(=S)Oc1cc(Cl)c(Br)cc1Cl- InChIKey
XELURNPXOIANMJ-UHFFFAOYSA-N- Molecular formula
- C10H12BrCl2O2PS
- Average molar mass
- 378 g/mol
- Monoisotopic mass
- 375.88561
Names & identifiers
- Preferred name
- Phosphonothioic acid, methyl-, O-(4-bromo-2,5-dichlorophenyl) O-isopropyl ester
- IUPAC
- (4-bromo-2,5-dichlorophenoxy)-methyl-propan-2-yloxy-sulfanylidene-λ5-phosphane
- English name
- OMS989
- Molecular formula
- C10H12BrCl2O2PS
- Molecular weight
- 378.05
Names & synonyms
2720-18-5Phosphonothioic acid, methyl-, O-(4-bromo-2,5-dichlorophenyl) O-isopropyl esterRefChem:1095264CELA K-43OMS 989ENT 27,375AI3-27375OMS989O-(2,5-Dichloro-4-bromophenyl) O-isopropyl methylphosphonothioateO-(4-Bromo-2,5-dichlorophenyl) O-(1-methylethyl)methylphosphonothioatePhosphonothioic acid, methyl-, O-(4-bromo-2,5-dichlorophenyl) O-(1-methylethyl) esterDTXSID30949933
Show more names
K-43O-(2,5-DICHLORO-4-BROMOPHENYL)O-ISOPROPYLMETHYLPHOSPHONOTHIONATEMethylphosphonothioic acid O-(4-bromo-2,5-dichlorophenyl)O-isopropyl esterPhosphonothioic acid, methyl-, O-(4-bromo-2,5-dichlorophenyl) O-(1-methylethyl) ester (9CI)
O-(4-Bromo-2,5-dichlorophenyl) O-propan-2-yl methylphosphonothioateO-(4-Bromo-2,5-dichlorophenyl) O-(propan-2-yl) methylphosphonothioate
Database identifiers
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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