1-Chloro-3-[3-(2,3-dibromopropoxy)-2-hydroxypropoxy]propan-2-OL
Basic information
- CAS
93778-75-7- Standard SMILES
OC(CCl)COCC(O)COCC(Br)CBr- InChIKey
CMAHSPOWIVRMTO-UHFFFAOYSA-N- Molecular formula
- C9H17Br2ClO4
- Average molar mass
- 384.49 g/mol
- Monoisotopic mass
- 381.91821
Names & identifiers
- Preferred name
- 1-Chloro-3-[3-(2,3-dibromopropoxy)-2-hydroxypropoxy]propan-2-OL
- IUPAC
- 1-(3-chloro-2-hydroxypropoxy)-3-(2,3-dibromopropoxy)propan-2-ol
- English name
- 1-chloro-3-[3-(2,3-dibromopropoxy)-2-hydroxypropoxy]propan-2-ol
- Molecular formula
- C9H17Br2ClO4
- Molecular weight
- 384.49
Names & synonyms
93778-75-7EINECS 298-210-21-CHLORO-3-[3-(2,3-DIBROMOPROPOXY)-2-HYDROXYPROPOXY]PROPAN-2-OL1-Chloro-3-(3-(2,3-dibromopropoxy)-2-hydroxypropoxy)propan-2-olDTXSID30917995CMAHSPOWIVRMTO-UHFFFAOYSA-NNS000655801-Chloro-3-[3-(2,3-dibromopropoxy)-2-hydroxypropoxy]-2-propanol2-Propanol, 1-chloro-3-[3-(2,3-dibromopropoxy)-2-hydroxypropoxy]-
Database identifiers
- CAS
93778-75-7- PubChem CID
- 3022342
- DTXSID
DTXSID30917995- EC Number
- 298-210-2
- Nikkaji
- J348.762H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 471.8 · 471.8±45.0 °C(Predicted)
- Density
- 1.718 · 1.718±0.06 g/cm3(Predicted)
- pka
- 13.2 · 13.20±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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