Basic information
- CAS
6483-86-9- Standard SMILES
O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c1cccc2[N+](=O)[O-]- InChIKey
CAOPOEWNJFGVEK-UHFFFAOYSA-N- Molecular formula
- C14H7NO7S
- Average molar mass
- 333.27 g/mol
- Monoisotopic mass
- 332.99432274
Names & identifiers
- Preferred name
- 6-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-1-nitro-
- IUPAC
- 5-nitro-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 5-nitro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
- Molecular formula
- C14H7NO7S
- Molecular weight
- 333.27
Names & synonyms
6-ANTHRACENESULFONIC ACID, 9,10-DIHYDRO-9,10-DIOXO-1-NITRO-1-Nitro-6(7)sulfonatoanthraquinoneCCRIS 5614HFT5BZV2WX1-Nitro-6(7)sulfonato-anthraquinoneBRN 2774738DTXSID702151292-11-00-00195 (Beilstein Handbook Reference)2-Anthracenesulfonic acid, 9,10-dihydro-5-nitro-9,10-dioxo-RefChem:199066DTXCID201376206483-86-9
Show more names
5-Nitro-9,10-dioxo-2-anthracenesulfonic acid
5-nitro-9,10-dioxoanthracene-2-sulfonic acid9,10-Dioxo-9,10-dihydro-1-nitro-6-anthracenesulfonic acid5-NITRO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONIC ACIDUNII-HFT5BZV2WXSCHEMBL115800421-nitro-6-anthraquinonesulfonic acid
Database identifiers
- CAS
6483-86-9- PubChem CID
- 22984
- DTXSID
DTXSID70215129- UNII
- HFT5BZV2WX
- Nikkaji
- J2.246B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Density
- 1.5809 · 1.5809 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- FDA UNII
- 5 BZV2WX · HFT5BZV2WX
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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