Basic information
- CAS
34646-53-2- Standard SMILES
OCC(O)COc1ccc(Cl)cc1Cl- InChIKey
ZIBOAPBPXIPVLG-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2O3
- Average molar mass
- 237.08 g/mol
- Monoisotopic mass
- 236.0006996
Names & identifiers
- Preferred name
- 1,2-Propanediol, 3-(2,4-dichlorophenoxy)-
- IUPAC
- 3-(2,4-dichlorophenoxy)propane-1,2-diol
- English name
- 3-(2,4-Dichlorophenoxy)-1,2-propanediol
- Molecular formula
- C9H10Cl2O3
- Molecular weight
- 237.08
Names & synonyms
34646-53-21,2-Propanediol, 3-(2,4-dichlorophenoxy)-RefChem:10524093-(2,4-Dichlorophenoxy)-1,2-propanediolNSC 14598BRN 2454341AI3-13148NSC145984-06-00-00895 (Beilstein Handbook Reference)CHEMBL3277194SCHEMBL104329591, 3-(2,4-dichlorophenoxy)-
Show more names
NSC-14598AKOS017359011DB-104877
Database identifiers
- CAS
34646-53-2- PubChem CID
- 95488
- ChEMBL
CHEMBL3277194- Nikkaji
- J50.793H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 80 · 80-81 °C
- Boiling point
- 397.4 · 397.4±37.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- 13.36 · 13.36±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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