Basic information
- CAS
72066-76-3- Standard SMILES
C[C@H](O)COC(=O)[C@H]1[C@@H](C(=O)OCCOCCOC[C@H](C)OC[C@H](C)O)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl- InChIKey
ODFZHUDSHBUSEJ-VGORAHFOSA-N- Molecular formula
- C22H30Cl6O9
- Average molar mass
- 651.2 g/mol
- Monoisotopic mass
- 648.002099
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2-(2-(2-(2-hydroxypropoxy)propoxy)ethoxy)ethyl 2-hydroxypropyl ester
- IUPAC
- 2-O-[2-[2-[(2S)-2-[(2S)-2-hydroxypropoxy]propoxy]ethoxy]ethyl] 3-O-[(2S)-2-hydroxypropyl] (1S,2S,3R,4R)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Names & synonyms
Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2-(2-(2-(2-(2-hydroxypropoxy)propoxy)ethoxy)ethyl) 3-(2-hydroxypropyl) esterBicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2-(2-(2-(2-hydroxypropoxy)propoxy)ethoxy)ethyl 2-hydroxypropyl ester
Database identifiers
- CAS
72066-76-3- PubChem CID
- 3085684
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 858
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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