Benzonitrile, 2,4,6-tris(1,1-dimethylethyl)-, N-oxide
Basic information
- CAS
193344-24-0- Standard SMILES
CC(C)(C)c1cc(C(C)(C)C)c(C#[N+][O-])c(C(C)(C)C)c1- InChIKey
MMDCYKMLNFOPMK-UHFFFAOYSA-N- Molecular formula
- C19H29NO
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.22491455
Names & identifiers
- Preferred name
- Benzonitrile, 2,4,6-tris(1,1-dimethylethyl)-, N-oxide
- IUPAC
- 2,4,6-tritert-butylbenzonitrile oxide
Names & synonyms
Benzonitrile, 2,4,6-tris(1,1-dimethylethyl)-, N-oxide193344-24-0DTXSID904544172,4,6-Tri-tert-butylbenzonitrile oxide
Database identifiers
- CAS
193344-24-0- PubChem CID
- 11077046
- DTXSID
DTXSID90454417- Nikkaji
- J1.036.944D
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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