Basic information
- CAS
40572-26-7- Standard SMILES
CC(C)(C)Cc1c(Br)c(CC(C)(C)C)c([N+](=O)[O-])c(CC(C)(C)C)c1I- InChIKey
OHAJKVKECPDHMX-UHFFFAOYSA-N- Molecular formula
- C21H33BrINO2
- Average molar mass
- 538.3 g/mol
- Monoisotopic mass
- 537.07394
Names & identifiers
- Preferred name
- 1-Bromo-2,4,6-tris(2,2-dimethylpropyl)-3-iodo-5-nitrobenzene
- IUPAC
- 1-bromo-2,4,6-tris(2,2-dimethylpropyl)-3-iodo-5-nitrobenzene
- English name
- 1-Bromo-2,4,6-tris(2,2-dimethylpropyl)-3-iodo-5-nitrobenzene
- Molecular formula
- C21H33BrINO2
- Molecular weight
- 538.3
Names & synonyms
40572-26-71-bromo-2,4,6-tris(2,2-dimethylpropyl)-3-iodo-5-nitrobenzeneDTXSID40337867RefChem:228294DTXCID70288954OHAJKVKECPDHMX-UHFFFAOYSA-NBenzene, 1-bromo-2,4,6-tris(2,2-dimethylpropyl)-3-iodo-5-nitro-1-Bromo-3-iodo-2,4,6-trineopentyl-5-nitrobenzene #
Database identifiers
- CAS
40572-26-7- PubChem CID
- 545186
- DTXSID
DTXSID40337867- Nikkaji
- J140.879H
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Boiling point
- 474.3 · 474.3±45.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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