Basic information
- CAS
5855-68-5- Standard SMILES
O=C1CC(c2ccccc2)=NN1c1ccccc1S(=O)(=O)O- InChIKey
LJMVVICUDHEKNL-UHFFFAOYSA-N- Molecular formula
- C15H12N2O4S
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.05177804
Names & identifiers
- Preferred name
- 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid
- IUPAC
- 2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid
- English name
- 2-(4,5-dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid
- Molecular formula
- C15H12N2O4S
- Molecular weight
- 316.33
Names & synonyms
5855-68-52-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid2-(5-oxo-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acidBenzenesulfonic acid, 2-(4,5-dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)-EINECS 227-465-4DTXSID50974106LJMVVICUDHEKNL-UHFFFAOYSA-NALBB-0206652-(5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acidAKOS004912543Benzenesulfonic acid,2-(4,5-dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)-
Show more names
1-(2-sulfophenyl)-3-phenyl-5-pyrazolone2-(5-keto-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulfonic acid
DB-323303NS00047144
Database identifiers
- CAS
5855-68-5- PubChem CID
- 79950
- DTXSID
DTXSID50974106- EC Number
- 227-465-4
- Nikkaji
- J218.100B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 561
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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