5-Nitro-2-naphthalenesulfonic acid
Basic information
- CAS
86-69-1- Standard SMILES
O=[N+]([O-])c1cccc2cc(S(=O)(=O)O)ccc12- InChIKey
ZAPHEIOXULZTDR-UHFFFAOYSA-N- Molecular formula
- C10H7NO5S
- Average molar mass
- 253.23 g/mol
- Monoisotopic mass
- 253.0044935
Names & identifiers
- Preferred name
- 5-Nitro-2-naphthalenesulfonic acid
- IUPAC
- 5-nitronaphthalene-2-sulfonic acid
Names & synonyms
5-nitro-2-naphthalenesulfonic acid86-69-1RefChem:3044005-nitronaphthalene-2-sulfonic acidSCHEMBL9734100DTXSID5012968575-nitro-2-naphthalene-sulphonic acid
Database identifiers
- CAS
86-69-1- PubChem CID
- 412053
- DTXSID
DTXSID501296857- Nikkaji
- J28.955H
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
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Compound notes
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