Basic information
- CAS
6387-17-3- Standard SMILES
CC1=NN(c2c(C)cc(S(=O)(=O)O)cc2Cl)C(=O)C1- InChIKey
QENFKLWBWWDGLL-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O4S
- Average molar mass
- 302.73 g/mol
- Monoisotopic mass
- 302.0128057
Names & identifiers
- Preferred name
- 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
- IUPAC
- 3-chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
- English name
- 5-chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
- Molecular formula
- C11H11ClN2O4S
- Molecular weight
- 302.73
Names & synonyms
6387-17-35-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid3-Chloro-5-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid3-chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid3-chloro-5-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acidBenzenesulfonic acid, 3-chloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-5-methyl-3-Chloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-5-methylbenzenesulfonic acidEINECS 228-991-7V9M2JD54URDTXSID90213384QENFKLWBWWDGLL-UHFFFAOYSA-NALBB-020673
Show more names
1-(2-methyl-4-sulfo-6-chlorophenyl)-3-methyl-5-pyrazolone1-(6-Chloro-2-methyl-4-sulfophenyl)-3-methyl-2-pyrazolin-5-one1-(2-Chloro-6-methyl-4-sulfophenyl)-3-methyl-2-pyrazolin-5-one3-chloro-4-(5-keto-3-methyl-4H-pyrazol-1-yl)-5-methyl-benzenesulfonic acid1-(2-Chloro-6-methyl-4-sulfophenyl)-3-methyl-2-pyrazolin-5-one5-Chloronaphthyl-
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 513
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- -0.82 · -0.82±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
重庆卡兰医药有限公司[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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