Basic information
- CAS
18425-74-6- Standard SMILES
O=[N+]([O-])c1cccc2ccc(S(=O)(=O)O)cc12- InChIKey
RLCVDUBXMVTRQZ-UHFFFAOYSA-N- Molecular formula
- C10H7NO5S
- Average molar mass
- 253.23 g/mol
- Monoisotopic mass
- 253.0044935
Names & identifiers
- Preferred name
- 8-Nitronaphthalene-2-sulfonic acid
- IUPAC
- 8-nitronaphthalene-2-sulfonic acid
- English name
- 1-Nitronaphthalene-7-Sulfonic Acid
- Molecular formula
- C10H7NO5S
- Molecular weight
- 253.23
Names & synonyms
8-nitronaphthalene-2-sulfonic acid18425-74-6DTXSID50328569RefChem:312240DTXCID202796751-NITRONAPHTHALENE-7-SULFONIC ACID1-Nitro-7-naphthalenesulfonic acidSCHEMBL9838979DB-0835902-Naphthalenesulfonic acid, 8-nitro-
Database identifiers
- CAS
18425-74-6- PubChem CID
- 412052
- DTXSID
DTXSID50328569- Nikkaji
- J28.957D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Density
- 1.601 · 1.601±0.06 g/cm3(Predicted)
- pka
- -0.26 · -0.26±0.40(Predicted)
Chemistry & industry
Suppliers1 total
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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