Benzenesulfonic acid, 5-chloro-2-hydroxy-3-((3-methyl-5-oxo-1-(M-sulfophenyl)-2-pyrazolin-4-YL)azo)-
Basic information
- CAS
29194-44-3- Standard SMILES
Cc1[nH]n(-c2cccc(S(=O)(=O)O)c2)c(=O)c1N=Nc1cc(Cl)cc(S(=O)(=O)O)c1O- InChIKey
HKYOPFRPULIUOZ-UHFFFAOYSA-N- Molecular formula
- C16H13ClN4O8S2
- Average molar mass
- 488.9 g/mol
- Monoisotopic mass
- 487.9863334
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 5-chloro-2-hydroxy-3-((3-methyl-5-oxo-1-(M-sulfophenyl)-2-pyrazolin-4-YL)azo)-
- IUPAC
- 5-chloro-2-hydroxy-3-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
Names & synonyms
SCHEMBL11308783SCHEMBL19678659BENZENESULFONIC ACID, 5-CHLORO-2-HYDROXY-3-((3-METHYL-5-OXO-1-(M-SULFOPHENYL)-2-PYRAZOLIN-4-YL)AZO)-BENZENESULFONIC ACID, 5-CHLORO-3-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)-2-HYDROXY-BENZENESULFONIC ACID, 5-CHLORO-3-(2-(4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)DIAZENYL)-2-HYDROXY-
Database identifiers
- CAS
29194-44-3- PubChem CID
- 22914
- UNII
- U45ZWU6918
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 988
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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