Basic information
- CAS
307331-73-3- Standard SMILES
Cc1ccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Nc4ccc(C)cc4)cc2[N+](=O)[O-])C3=O)cc1- InChIKey
HONYXPWWLPJXPJ-UHFFFAOYSA-N- Molecular formula
- C27H20N4O9S2
- Average molar mass
- 608.6 g/mol
- Monoisotopic mass
- 608.06717058
Names & identifiers
- Preferred name
- 4,5-Dinitro-9-oxo-9H-fluorene-2,7-disulfonic acid bis-p-tolylamide
- IUPAC
- 2-N,7-N-bis(4-methylphenyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide
- English name
- 4,5-Dinitro-9-oxo-9H-fluorene-2,7-disulfonic acid bis-p-tolylamide
- Molecular formula
- C27H20N4O9S2
- Molecular weight
- 608.6
Names & synonyms
ChemDiv1_020027HMS643O074,5-Dinitro-9-oxo-9H-fluorene-2,7-disulfonic acid bis-p-tolylamideZINC05344907AKOS001604499EU-0068351AG-690/08654012N~2~,N~7~-bis(4-methylphenyl)-4,5-dinitro-9-oxo-9H-fluorene-2,7-disulfonamide9H-Fluorene-2,7-disulfonamide, N2,N7-bis(4-methylphenyl)-4,5-dinitro-9-oxo-
Database identifiers
- CAS
307331-73-3- PubChem CID
- 3095282
- EC Number
- 151-574-5
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,160
Physicochemical properties
- Boiling point
- 856.305 · 856.305±75.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.605 · 1.605±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.665 · 6.665±0.20(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…