Basic information
- CAS
34063-75-7- Standard SMILES
Cc1[nH]n(-c2cc(S(=O)(=O)O)ccc2Cl)c(=O)c1N=Nc1cccc(S(=O)(=O)Nc2ccccc2)c1- InChIKey
VFAMNXJTULSJMY-UHFFFAOYSA-N- Molecular formula
- C22H18ClN5O6S2
- Average molar mass
- 548 g/mol
- Monoisotopic mass
- 547.0387034
Names & identifiers
- Preferred name
- Acid Yellow 29 free acid
- IUPAC
- 4-chloro-3-[5-methyl-3-oxo-4-[[3-(phenylsulfamoyl)phenyl]diazenyl]-1H-pyrazol-2-yl]benzenesulfonic acid
Names & synonyms
Acid Yellow 29 free acidEQ516Y673UUNII-EQ516Y673U34063-75-7Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-((3-((phenylamino)sulfonyl)phenyl)azo)-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(2-(3-((phenylamino)sulfonyl)phenyl)diazenyl)-1H-pyrazol-1-yl)-SCHEMBL15115351
Database identifiers
- CAS
34063-75-7- PubChem CID
- 80694
- UNII
- EQ516Y673U
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…