(4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid
Basic information
- CAS
81117-00-2- Standard SMILES
CCCSP(=O)(O)Oc1ccc(Br)cc1Cl- InChIKey
GZZITKVVZDJIGW-UHFFFAOYSA-N- Molecular formula
- C9H11BrClO3PS
- Average molar mass
- 345.58 g/mol
- Monoisotopic mass
- 343.90384
Names & identifiers
- Preferred name
- (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid
- IUPAC
- (4-bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid
Names & synonyms
81117-00-2(4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acidSCHEMBL11295077DTXSID101001789O-(4-Bromo-2-chlorophenyl) S-propyl hydrogen phosphorothioate
Database identifiers
- CAS
81117-00-2- PubChem CID
- 190054
- DTXSID
DTXSID101001789
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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