2-(2,4,5-Trichlorophenoxy)ethyl hydrogen sulfate
Basic information
- CAS
69633-04-1- Standard SMILES
O=S(=O)(O)OCCOc1cc(Cl)c(Cl)cc1Cl- InChIKey
YWNCRLWPJZLWGH-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O5S
- Average molar mass
- 321.6 g/mol
- Monoisotopic mass
- 319.907978
Names & identifiers
- Preferred name
- 2-(2,4,5-Trichlorophenoxy)ethyl hydrogen sulfate
- IUPAC
- 2-(2,4,5-trichlorophenoxy)ethyl hydrogen sulfate
Names & synonyms
2-(2,4,5-Trichlorophenoxy)ethyl hydrogen sulfateUNII-HI788A7B5JHI788A7B5J69633-04-1Ethanol, 2-(2,4,5-trichlorophenoxy)-, hydrogen sulfateDTXSID70584622,4,5-TES FREE ACIDTRICHLOROPHENOXY)ETHYL SULFATE, 2-(2,4,5-RefChem:83901DTXCID6032223SCHEMBL1871266GTPL14029
Show more names
Q27279945
Database identifiers
- CAS
69633-04-1- PubChem CID
- 19130
- DTXSID
DTXSID7058462- UNII
- HI788A7B5J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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