Basic information
- CAS
50573-58-5- Standard SMILES
O=S(=O)(O)c1ccc(N=Nc2ccc(O)c(Cl)c2)cc1- InChIKey
NXCHQDZAQDBOSZ-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O4S
- Average molar mass
- 312.73 g/mol
- Monoisotopic mass
- 311.9971556
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-[(3-chloro-4-hydroxyphenyl)azo]-
- IUPAC
- 4-[(3-chloro-4-hydroxyphenyl)diazenyl]benzenesulfonic acid
Names & synonyms
50573-58-5Benzenesulfonic acid, 4-[(3-chloro-4-hydroxyphenyl)azo]-SCHEMBL8844886SCHEMBL8844893DTXSID204256354-[2-(3-Chloro-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid
Database identifiers
- CAS
50573-58-5- PubChem CID
- 413136
- DTXSID
DTXSID20425635- Nikkaji
- J1.577.241G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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