1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol
Basic information
- CAS
21787-91-7- Standard SMILES
O=[N+]([O-])c1nccn1CC(O)COCC(F)(F)F- InChIKey
MJAYBDARRXBLER-UHFFFAOYSA-N- Molecular formula
- C8H10F3N3O4
- Average molar mass
- 269.18 g/mol
- Monoisotopic mass
- 269.06234046
Names & identifiers
- Preferred name
- 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol
- IUPAC
- 1-(2-nitroimidazol-1-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
- English name
- 2-NITRO-ALPHA-[(2,2,2-TRIFLUOROETHOXY)METHYL]-IMIDAZOLE-1-ETHANOL
- Molecular formula
- C8H10F3N3O4
- Molecular weight
- 269.18
Names & synonyms
21787-91-71-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanolTF-MISORefChem:9072342-Nitro-alpha-[(2,2,2-trifluoroethoxy)methyl]-imidazole-1-ethanol1-(2-nitroimidazol-1-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol1-(2-Nitro-1H-imidazol-1-yl)-3-(2,2,2-trifluoroethoxy)propan-2-olBRN 0543124Ro 07-2044SCHEMBL9724605DTXSID30875728MJAYBDARRXBLER-UHFFFAOYSA-N
Show more names
1-(2-nitro-1-imidazolyl)-3-(2,2,2-trifluoroethoxy)-2-propanol2-nitro-alpha-((2,2,2-trifluoroethoxy)methyl)-imidazole-1-ethano1H-Imidazole-1-ethanol, 2-nitro-α-[(2,2,2-trifluoroethoxy)methyl]-2-nitro-alpha-((2,2,2-trifluoroethoxy)methyl)-1h-imidazole-1-ethano
Imidazole-1-ethanol, 2-nitro-alpha-((2,2,2-trifluoroethoxy)methyl)-1H-Imidazole-1-ethanol, 2-nitro-alpha-((2,2,2-trifluoroethoxy)methyl)-AKOS0159140491(2-OH-6-CF3-ETOPR)-2-NO2-IMIDAZOLE
Database identifiers
- CAS
21787-91-7- PubChem CID
- 89534
- DTXSID
DTXSID30875728- Nikkaji
- J997K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
LogP0.46
Physicochemical properties
- Boiling point
- 449 ℃ · 449℃
- Density
- 1.56 · 1.56
- Flash point
- 225 ℃ · 225℃
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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