1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-
Basic information
- CAS
54648-07-6- Standard SMILES
CC1(C)CC(C)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc21- InChIKey
SNODYNVSSVPIFV-UHFFFAOYSA-N- Molecular formula
- C18H18N2O4
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.12665706
Names & identifiers
- Preferred name
- 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-
- IUPAC
- 1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2H-indene
Names & synonyms
1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-RefChem:43859254648-07-6SCHEMBL9263204DTXSID40969925SNODYNVSSVPIFV-UHFFFAOYSA-N1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene
Database identifiers
- CAS
54648-07-6- PubChem CID
- 108255
- DTXSID
DTXSID40969925- Nikkaji
- J2.662.115A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 516
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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