1-[3,5-Dinitro-4-(propane-2-sulfonyl)phenyl]tricyclo[3.3.1.1~3,7~]decane
Basic information
- CAS
71466-63-2- Standard SMILES
CC(C)S(=O)(=O)c1c([N+](=O)[O-])cc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]- InChIKey
FOWLBDGIGTUBIU-UHFFFAOYSA-N- Molecular formula
- C19H24N2O6S
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.13550766
Names & identifiers
- Preferred name
- 1-[3,5-Dinitro-4-(propane-2-sulfonyl)phenyl]tricyclo[3.3.1.1~3,7~]decane
- IUPAC
- 1-(3,5-dinitro-4-propan-2-ylsulfonylphenyl)adamantane
- English name
- 1-[4-[(1-Methylethyl)sulfonyl]-3,5-dinitrophenyl]tricyclo[3.3.1.13,7]decane
- Molecular formula
- C19H24N2O6S
- Molecular weight
- 408.47
Names & synonyms
DTXSID207025141-[3,5-Dinitro-4-(propane-2-sulfonyl)phenyl]tricyclo[3.3.1.1~3,7~]decane71466-63-21-[3,5-Dinitro-4-(propane-2-sulfonyl)phenyl]adamantane1-[4-[(1-Methylethyl)sulfonyl]-3,5-dinitrophenyl]tricyclo[3.3.1.13,7]decaneTricyclo[3.3.1.13,7]decane, 1-[4-[(1-methylethyl)sulfonyl]-3,5-dinitrophenyl]-
Database identifiers
- CAS
71466-63-2- PubChem CID
- 53440367
- DTXSID
DTXSID20702514- Nikkaji
- J145.437D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 697
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Related reactions
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Compound notes
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