Basic information
- CAS
73332-76-0- Standard SMILES
O=[N+]([O-])c1cn2c(n1)OC(CCl)C2- InChIKey
AMEBFJJGPLVLCN-UHFFFAOYSA-N- Molecular formula
- C6H6ClN3O3
- Average molar mass
- 203.58 g/mol
- Monoisotopic mass
- 203.0097688
Names & identifiers
- Preferred name
- Imidazo(2,1-b)oxazole, 2-(chloromethyl)-2,3-dihydro-6-nitro-
- IUPAC
- 2-(chloromethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
- English name
- 2-Chloromethyl-6-nitro-dihydroimidazooxazole
- Molecular formula
- C6H6ClN3O3
- Molecular weight
- 203.58
Names & synonyms
73332-76-0Imidazo(2,1-b)oxazole, 2-(chloromethyl)-2,3-dihydro-6-nitro-Imidazo[2,1-b]oxazole, 2-(chloromethyl)-2,3-dihydro-6-nitro-RefChem:3487272-chloromethyl-2,3-dihydro-6-nitroimidazo[2,1-b]oxazole2-(chloromethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazoleCHEMBL157883DTXSID509940612-(chloromethyl)-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole2-Chloromethyl-6-nitro-dihydroimidazooxazole
Database identifiers
- CAS
73332-76-0- PubChem CID
- 460733
- DTXSID
DTXSID50994061- ChEMBL
CHEMBL157883- Nikkaji
- J2.021.052D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 170 · 170-171 °C(Solv: ethanol (64-17-5))
- Boiling point
- 400 · 400.0±41.0 °C(Predicted)
- Density
- 1.87 · 1.87±0.1 g/cm3(Predicted)
- pka
- -0.73 · -0.73±0.40(Predicted)
Chemistry & industry
Suppliers1 total
AQS-USA.INC.—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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