Basic information
- CAS
40572-24-5- Standard SMILES
CC(C)(C)Cc1c(Br)c(CC(C)(C)C)c([N+](=O)[O-])c(CC(C)(C)C)c1Br- InChIKey
NOVVXIDGGJTENU-UHFFFAOYSA-N- Molecular formula
- C21H33Br2NO2
- Average molar mass
- 491.3 g/mol
- Monoisotopic mass
- 489.0878
Names & identifiers
- Preferred name
- 1,3-Dibromo-2,4,6-tris(2,2-dimethylpropyl)-5-nitrobenzene
- IUPAC
- 1,3-dibromo-2,4,6-tris(2,2-dimethylpropyl)-5-nitrobenzene
- English name
- 1,3-Dibromo-2,4,6-tris(2,2-dimethylpropyl)-5-nitrobenzene
- Molecular formula
- C21H33Br2NO2
- Molecular weight
- 491.3
Names & synonyms
1,3-dibromo-2,4,6-tris(2,2-dimethylpropyl)-5-nitrobenzeneDTXSID8033786640572-24-5RefChem:218385DTXCID10288953NOVVXIDGGJTENU-UHFFFAOYSA-NBenzene, 1,3-dibromo-2,4,6-tris(2,2-dimethylpropyl)-5-nitro-1,3-Dibromo-2,4,6-trineopentyl-5-nitrobenzene #
Database identifiers
- CAS
40572-24-5- PubChem CID
- 545183
- DTXSID
DTXSID80337866- Nikkaji
- J140.872K
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
- 452
Physicochemical properties
- Boiling point
- 466.3 · 466.3±40.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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