Basic information
- CAS
688-78-8- Standard SMILES
ClCCOCCC(OCCCl)OCCCl- InChIKey
QHRNWCLHOBWELK-UHFFFAOYSA-N- Molecular formula
- C9H17Cl3O3
- Average molar mass
- 279.6 g/mol
- Monoisotopic mass
- 278.024327
Names & identifiers
- Preferred name
- 1,1,3-Tris(2-chloroethoxy)propane
- IUPAC
- 1,1,3-tris(2-chloroethoxy)propane
- English name
- 1,1,3-Tris(2-chloroethoxy)propane
- Molecular formula
- C9H17Cl3O3
- Molecular weight
- 279.59
Names & synonyms
1,1,3-Tris(2-chloroethoxy)propane688-78-8Propane, 1,1,3-tris(2-chloroethoxy)-4FEX9N888EPropionaldehyde, 3-(2-chloroethoxy)-, bis(2-chloroethyl) acetalNSC-389781,1,3-Tri(2-chloroethoxy)propaneNSC 38978BRN 1765766UNII-4FEX9N888ENSC38978WLN: G2OYO2G2O2G
Show more names
DTXSID502189111,3-Tris(2-chloroethoxy)propanePropane,1,3-tris(2-chloroethoxy)-1,1,3-tri-(beta-chloroethoxy)propanePropionaldehyde, bis(2-chloroethyl) acetalQ27259522
Database identifiers
- CAS
688-78-8- PubChem CID
- 69643
- DTXSID
DTXSID50218911- UNII
- 4FEX9N888E
- Nikkaji
- J35.357D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- FDA UNII
- 4 FEX9N888E · 4FEX9N888E
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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