5-Chloro-2-hydroxy-3-((3-methyl-5-oxo-1-(m-sulphophenyl)-2-pyrazolin-4-yl)azo)benzenesulphonic acid
Basic information
- CAS
29194-44-3- Standard SMILES
CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1N=Nc1cc(Cl)cc(S(=O)(=O)O)c1O- InChIKey
IMQZAMUWKUCBBR-UHFFFAOYSA-N- Molecular formula
- C16H13ClN4O8S2
- Average molar mass
- 488.9 g/mol
- Monoisotopic mass
- 487.9863334
Names & identifiers
- Preferred name
- 5-Chloro-2-hydroxy-3-((3-methyl-5-oxo-1-(m-sulphophenyl)-2-pyrazolin-4-yl)azo)benzenesulphonic acid
- IUPAC
- 5-chloro-2-hydroxy-3-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
Names & synonyms
29194-44-3EINECS 249-498-35-Chloro-2-hydroxy-3-((3-methyl-5-oxo-1-(m-sulphophenyl)-2-pyrazolin-4-yl)azo)benzenesulphonic acidUNII-U45ZWU6918IMQZAMUWKUCBBR-UHFFFAOYSA-NDTXSID601106607NS00050574
Database identifiers
- CAS
29194-44-3- PubChem CID
- 120146
- DTXSID
DTXSID601106607- EC Number
- 249-498-3
- Nikkaji
- J250.791I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 975
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…