6-Hydroxy-5-((2-nitrophenyl)azo)naphthalene-2-sulphonic acid
Basic information
- CAS
23222-13-1- Standard SMILES
O=[N+]([O-])c1ccccc1N=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12- InChIKey
GQRPVYIEDDNGDC-UHFFFAOYSA-N- Molecular formula
- C16H11N3O6S
- Average molar mass
- 373.3 g/mol
- Monoisotopic mass
- 373.03685625
Names & identifiers
- Preferred name
- 6-Hydroxy-5-((2-nitrophenyl)azo)naphthalene-2-sulphonic acid
- IUPAC
- 6-hydroxy-5-[(2-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
- English name
- 6-hydroxy-5-[(2-nitrophenyl)azo]naphthalene-2-sulphonic acid
- Molecular formula
- C16H11N3O6S
- Molecular weight
- 373.34
Names & synonyms
23222-13-16-Hydroxy-5-((2-nitrophenyl)azo)naphthalene-2-sulphonic acid6-hydroxy-5-[(2-nitrophenyl)azo]naphthalene-2-sulphonic acidEINECS 245-502-2GQRPVYIEDDNGDC-UHFFFAOYSA-NDTXSID601165243NS000508476-Hydroxy-5-[(2-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid6-Hydroxy-5-[2-(2-nitrophenyl)diazenyl]-2-naphthalenesulfonic acid6-Hydroxy-5-[(2-nitrophenyl)azo]-2-naphthalenesulfonic acid
Database identifiers
- CAS
23222-13-1- PubChem CID
- 90034
- DTXSID
DTXSID601165243- EC Number
- 245-502-2
- Nikkaji
- J318.429C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 643
Physicochemical properties
- Density
- 1.594 · 1.594±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.172 · 0.172±0.40(predicted)
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Compound notes
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