1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-alpha-((3-fluorophenoxy)methyl)-, ethanedioate salt
Basic information
- CAS
83338-01-6- Standard SMILES
O=C(O)C(=O)O.OC(COc1cccc(F)c1)(Cn1ccnc1)c1ccc(Cl)cc1Cl- InChIKey
BVCXDHSGMDMMDA-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2FN2O6
- Average molar mass
- 471.3 g/mol
- Monoisotopic mass
- 470.0447698
Names & identifiers
- Preferred name
- 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-alpha-((3-fluorophenoxy)methyl)-, ethanedioate salt
- IUPAC
- 2-(2,4-dichlorophenyl)-1-(3-fluorophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
Names & synonyms
83338-01-61H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-alpha-((3-fluorophenoxy)methyl)-, ethanedioate saltRefChem:10579822-(2,4-Dichlorophenyl)-3-(m-fluorophenoxy)-1-(imidazol-1-yl)-2-propanol oxalateDTXSID001003320Oxalic acid--2-(2,4-dichlorophenyl)-1-(3-fluorophenoxy)-3-(1H-imidazol-1-yl)propan-2-ol (1/1)
Database identifiers
- CAS
83338-01-6- PubChem CID
- 3068293
- DTXSID
DTXSID001003320
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…