Basic information
- CAS
31876-69-4- Standard SMILES
CC(=O)Cn1c([N+](=O)[O-])cnc1C- InChIKey
GPHZOEKNRXEQFM-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.06439116
Names & identifiers
- Preferred name
- 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-
- IUPAC
- 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-one
- English name
- 1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-one
- Molecular formula
- C7H9N3O3
- Molecular weight
- 183.16
Names & synonyms
31876-69-41-(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-one2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-Ornidazole Impurity A1-(2-methyl-5-nitroimidazol-1-yl)propan-2-one1-(2-Propanonyl)-2-methyl-5-nitroimidazole1-(2-METHYL-5-NITRO-IMIDAZOL-1-YL)PROPAN-2-ONEBRN 0520930Ornidazole Impurity 21-(2-Methyl-5-nitro-1H-imidazol-1-yl)acetone5-23-05-00074 (Beilstein Handbook Reference)1-(2-Methyl-5-nitro-1H-imidazol-1-yl)-2-propanone
Show more names
Oronazole Impurity 2Ornidazole Impurity 22Ornidazole Impurity VOrnidazole Related CoMpoundOrnidazole related compoundsOrnidazole Related Compound 2Morpholine Nitrazole Impurity V
SCHEMBL49604532-Propanone, 1-(2-methyl-5-nitro-1H-imidazol-1-yl)-DTXSID701857322-Methyl-5-nitro-1-imidazolylacetoneB7W3Z52692CS-0343311
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 378.4 · 378.4±22.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 2.09 · 2.09±0.34(Predicted)
Chemistry & industry
Applications
UsesOrnidazole Related Compound 2 is an impurity of Ornidazole(O688500).
Suppliers47 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…