3-(4-Bromo-2-nitrophenoxy)azetidine
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Basic information
- CAS
1220027-84-8- Standard SMILES
O=[N+]([O-])c1cc(Br)ccc1OC1CNC1- InChIKey
JBIQIBUVKUNXDH-UHFFFAOYSA-N- Molecular formula
- C9H9BrN2O3
- Average molar mass
- 273.08 g/mol
- Monoisotopic mass
- 271.97965
Names & identifiers
- Preferred name
- 3-(4-Bromo-2-nitrophenoxy)azetidine
- IUPAC
- 3-(4-bromo-2-nitrophenoxy)azetidine
- English name
- 3-(4-Bromo-2-nitrophenoxy)azetidine
- Molecular formula
- C9H9BrN2O3
- Molecular weight
- 273.08
Names & synonyms
3-(4-BROMO-2-NITROPHENOXY)AZETIDINE1220027-84-8DTXSID301292780MFCD13559907AKOS0124058853-(4-bromo-2-nitro-phenoxy)azetidineCS-0268708EN300-1896231A1-15847Azetidine, 3-(4-bromo-2-nitrophenoxy)-
Database identifiers
- CAS
1220027-84-8- PubChem CID
- 53409299
- DTXSID
DTXSID301292780
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 385.7 · 385.7±42.0 °C(Predicted)
- Density
- 1.659 · 1.659±0.06 g/cm3(Predicted)
- pka
- 8.95 · 8.95±0.40(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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