Basic information
- CAS
73332-75-9- Standard SMILES
CC1Cn2cc([N+](=O)[O-])nc2O1- InChIKey
NUCGDAFGCCIOTC-UHFFFAOYSA-N- Molecular formula
- C6H7N3O3
- Average molar mass
- 169.14 g/mol
- Monoisotopic mass
- 169.04874109
Names & identifiers
- Preferred name
- 2-Methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole
- IUPAC
- 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
- English name
- 2-Methyl-6-nitro-2,3-dihydro-imidazo[2,1-b]oxazole
- Molecular formula
- C6H7N3O3
- Molecular weight
- 169.14
Names & synonyms
73332-75-92-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazoleImidazo(2,1-b)oxazole, 2,3-dihydro-2-methyl-6-nitro-Imidazo[2,1-b]oxazole, 2,3-dihydro-2-methyl-6-nitro-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazoleCHEMBL155455SCHEMBL5544490SCHEMBL5544495DTXSID90994060NUCGDAFGCCIOTC-UHFFFAOYSA-NAKOS0063295582-Methyl-6-nitro-2,3-dihydro-imidazo[2,1-b]oxazole
Database identifiers
- CAS
73332-75-9- PubChem CID
- 460732
- DTXSID
DTXSID90994060- ChEMBL
CHEMBL155455
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 156 · 156-157 °C(Solv: ethanol (64-17-5))
- Boiling point
- 333.7 · 333.7±34.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- -0.31 · -0.31±0.40(Predicted)
Chemistry & industry
Suppliers1 total
AQS-USA.INC.—
Related reactions
1 records
Compound notes
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