Basic information
- CAS
78480-21-4- Standard SMILES
COc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)c(C)cc1[N+]#N- InChIKey
HYLVOMPFLVGUCF-UHFFFAOYSA-N- Molecular formula
- C14H12N4O4S
- Average molar mass
- 332.34 g/mol
- Monoisotopic mass
- 332.05792605
Names & identifiers
- Preferred name
- benzenediazonium, 2-methoxy-5-methyl-4-[2-(3-sulfophenyl)diazenyl]-, inner salt
- IUPAC
- 3-[(4-diazonio-5-methoxy-2-methylphenyl)diazenyl]benzenesulfonate
Names & synonyms
DTXSID001136076Benzenediazonium, 2-methoxy-5-methyl-4-(2-(3-sulfophenyl)diazenyl)-, inner saltBenzenediazonium, 2-methoxy-5-methyl-4-[2-(3-sulfophenyl)diazenyl]-, inner saltRefChem:563067DTXCID00156769778480-21-4Benzenediazonium, 2-methoxy-5-methyl-4-((3-sulfophenyl)azo)-, hydroxide, inner saltBenzenediazonium, 2-methoxy-5-methyl-4-((3-sulfophenyl)azo)-, inner saltBenzenediazonium, 2-methoxy-5-methyl-4-[(3-sulfophenyl)azo]-, inner saltHYLVOMPFLVGUCF-UHFFFAOYSA-N3-[(4-Diazonio-5-methoxy-2-methylphenyl)diazenyl]benzene-1-sulfonate
Database identifiers
- CAS
78480-21-4- PubChem CID
- 109072
- DTXSID
DTXSID001136076- Nikkaji
- J453.518I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 566
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenediazonium, 2-methoxy-5-methyl-4-[2-(3-sulfophenyl)diazenyl]-, inner salt: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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