Basic information
- CAS
16156-90-4- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCI- InChIKey
ROXLQGHOPINWFU-UHFFFAOYSA-N- Molecular formula
- C6H8IN3O2
- Average molar mass
- 281.05 g/mol
- Monoisotopic mass
- 280.9661245
Names & identifiers
- Preferred name
- 1-(2-Iodoethyl)-2-methyl-5-nitroimidazole
- IUPAC
- 1-(2-iodoethyl)-2-methyl-5-nitroimidazole
- English name
- 1-(2-iodoethyl)-2-methyl-5-nitro-imidazole
- Molecular formula
- C6H8IN3O2
- Molecular weight
- 281.05
Names & synonyms
16156-90-41-(2-Iodoethyl)-2-methyl-5-nitroimidazole4KF74X42GXRefChem:10539881-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole1-(2-iodoethyl)-2-methyl-5-nitro-imidazoleImidazole, 1-(2-iodoethyl)-2-methyl-5-nitro-BRN 0611687IodometronidazoleUNII-4KF74X42GX1H-Imidazole, 1-(2-iodoethyl)-2-methyl-5-nitro-SCHEMBL11521436
Show more names
DTXSID70167194AKOS014116529AC-6397DB-002345CS-0336968A51045
Database identifiers
- CAS
16156-90-4- PubChem CID
- 85309
- DTXSID
DTXSID70167194- UNII
- 4KF74X42GX
- Nikkaji
- J49.340F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 78.5 · 78.5-79.5 °C
- Boiling point
- 395.1 · 395.1±22.0 °C(Predicted)
- Density
- 2.03 · 2.03±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.57 · 2.57±0.35(Predicted)
- FDA UNII
- 4 KF74X42GX · 4KF74X42GX
Chemistry & industry
Suppliers6 total
瑞果（苏州）新材料有限公司0512-87813132-801 13913535368
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Related reactions
1 records
Compound notes
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