5-Nitronaphthalene-1-sulphonic acid
Basic information
- CAS
17521-00-5- Standard SMILES
O=[N+]([O-])c1cccc2c(S(=O)(=O)O)cccc12- InChIKey
FTNWWQOFRQZWSC-UHFFFAOYSA-N- Molecular formula
- C10H7NO5S
- Average molar mass
- 253.23 g/mol
- Monoisotopic mass
- 253.0044935
Names & identifiers
- Preferred name
- 5-Nitronaphthalene-1-sulphonic acid
- IUPAC
- 5-nitronaphthalene-1-sulfonic acid
- English name
- 5-nitronaphthalene-1-sulphonic acid
- Molecular formula
- C10H7NO5S
- Molecular weight
- 253.23
Names & synonyms
5-nitronaphthalene-1-sulfonic acid17521-00-55-Nitronaphthalene-1-sulphonic acid5-Nitro-1-naphthalenesulfonic acidEINECS 241-518-95-NitronaphthalinsulfosaureCBDivE_015701SCHEMBL2547051DTXSID70169951FTNWWQOFRQZWSC-UHFFFAOYSA-NNSC163495NSC 163495
Show more names
1-Nitro-5-naphthalenesulfonic acid1-Naphthalenesulfonic acid, 5-nitro-
NSC-163495NS00025749AB00074266-01SR-01000196548SR-01000196548-1
Database identifiers
- CAS
17521-00-5- PubChem CID
- 87144
- DTXSID
DTXSID70169951- EC Number
- 241-518-9
- Nikkaji
- J28.954J
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- -0.35 · -0.35±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…