Basic information
- CAS
13329-82-3- Standard SMILES
COP(O)(=S)Oc1cc(Cl)c(Br)cc1Cl- InChIKey
SWZHPVYVLAUYFW-UHFFFAOYSA-N- Molecular formula
- C7H6BrCl2O3PS
- Average molar mass
- 351.97 g/mol
- Monoisotopic mass
- 349.83357
Names & identifiers
- Preferred name
- Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate
- IUPAC
- (4-bromo-2,5-dichlorophenoxy)-hydroxy-methoxy-sulfanylidene-λ5-phosphane
Names & synonyms
13329-82-3(4-Bromo-2,5-dichlorophenyl) methyl phosphorothionatePhenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioateDTXSID90928042Phosphorothioic acid O-(4-bromo-2,5-dichloropehnyl) O-methyl esterO-(4-Bromo-2,5-dichlorophenyl) O-methyl hydrogen phosphorothioate
Database identifiers
- CAS
13329-82-3- PubChem CID
- 60177
- DTXSID
DTXSID90928042
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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