Basic information
- CAS
40572-23-4- Standard SMILES
CC(C)(C)Cc1cc(CC(C)(C)C)c([N+](=O)[O-])c(CC(C)(C)C)c1Br- InChIKey
PJJTYFZOOMXAOP-UHFFFAOYSA-N- Molecular formula
- C21H34BrNO2
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 411.17729
Names & identifiers
- Preferred name
- 2-Bromo-1,3,5-tris(2,2-dimethylpropyl)-4-nitrobenzene
- IUPAC
- 2-bromo-1,3,5-tris(2,2-dimethylpropyl)-4-nitrobenzene
- English name
- 2-Bromo-1,3,5-tris(2,2-dimethylpropyl)-4-nitrobenzene
- Molecular formula
- C21H34BrNO2
- Molecular weight
- 412.4
Names & synonyms
2-bromo-1,3,5-tris(2,2-dimethylpropyl)-4-nitrobenzene40572-23-4DTXSID70337911RefChem:256724DTXCID10288998PJJTYFZOOMXAOP-UHFFFAOYSA-NBenzene, 2-bromo-1,3,5-tris(2,2-dimethylpropyl)-4-nitro-2-Bromo-1,3,5-trineopentyl-4-nitrobenzene #
Database identifiers
- CAS
40572-23-4- PubChem CID
- 545486
- DTXSID
DTXSID70337911- Nikkaji
- J140.868B
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 435.7 · 435.7±40.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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