Basic information
- CAS
32101-58-9- Standard SMILES
CC(C)(C)c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
ICTBPAKKMQFGEG-UHFFFAOYSA-N- Molecular formula
- C16H16N2O5
- Average molar mass
- 316.31 g/mol
- Monoisotopic mass
- 316.10592162
Names & identifiers
- Preferred name
- 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene
- IUPAC
- 1-(2-tert-butylphenoxy)-2,4-dinitrobenzene
- English name
- 2,4-Dinitrophenyl 2-tert-butylphenyl ether
- Molecular formula
- C16H16N2O5
- Molecular weight
- 316.31
Names & synonyms
1-(2-tert-butylphenoxy)-2,4-dinitrobenzene32101-58-9DTXSID40347082RefChem:223893DTXCID70298154Ether, o-tert-butylphenyl 2,4-dinitrophenylo-tert-Butylphenyl 2,4-dinitrophenyl ether2,4-Dinitrophenyl 2-tert-butylphenyl etherBenzene, 1-[2-(1,1-dimethylethyl)phenoxy]-2,4-dinitro-ICTBPAKKMQFGEG-UHFFFAOYSA-N2-tert-Butylphenyl 2,4-dinitrophenyl ether1-[2-(1,1-Dimethylethyl)phenoxy]-2,4-dinitrobenzene
Database identifiers
- CAS
32101-58-9- PubChem CID
- 617707
- DTXSID
DTXSID40347082- Nikkaji
- J144.512J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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