Basic information
- CAS
27147-97-3- Standard SMILES
CC(C)(C)N1C(=O)C1c1ccc(Br)cc1- InChIKey
KMUSLCOKIOFBPQ-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO
- Average molar mass
- 268.15 g/mol
- Monoisotopic mass
- 267.02588
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-1-tert-butylaziridin-2-one
- IUPAC
- 3-(4-bromophenyl)-1-tert-butylaziridin-2-one
- English name
- 3-(p-Bromophenyl)-1-tert-butylaziridin-2-one
- Molecular formula
- C12H14BrNO
- Molecular weight
- 268.15
Names & synonyms
3-(4-bromophenyl)-1-tert-butylaziridin-2-one27147-97-3DTXSID70337895RefChem:274399DTXCID002889822-Aziridinone, 3-(p-bromophenyl)-1-tert-butyl-KMUSLCOKIOFBPQ-UHFFFAOYSA-N3-(4-Bromophenyl)-1-tert-butyl-2-aziridinone #3-(p-Bromophenyl)-1-tert-butylaziridin-2-one2-Aziridinone, 3-(4-bromophenyl)-1-(1,1-dimethylethyl)-
Database identifiers
- CAS
27147-97-3- PubChem CID
- 545377
- DTXSID
DTXSID70337895- Nikkaji
- J112.384J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 314.7 · 314.7±52.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- -3.83 · -3.83±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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