disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate

• Catalog Number: ACM12220643
• Product Name: disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate
• CAS: 12220-64-3
• Category: Acid Dyes
• Synonyms: disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate;1-Naphthalenesulfonic acid, 2-1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-ylazo-, disodium salt;2-[[1-(2,5
• IUPAC Name: disodium 2-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate
• Molecular Weight: 601.34742
• Molecular Formula: C₂₀H₁₄Cl₂N₄O₇S₂.2Na
• Canonical SMILES: CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
• InChI Key: KRVDIUOUSKADMQ-UHFFFAOYSA-L
• Density: g/cm³
• Appearance: yellow powder
• EC Number: 235-409-5
• Exact Mass: 599.93200
• H-Bond Acceptor: 10
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound with PubChem CID 11970362?

The molecular formula is C20H12Cl2N4Na2O7S2.

What is the IUPAC name of the compound with PubChem CID 11970362?

The IUPAC name is disodium;2-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate.

What is the InChI of the compound with PubChem CID 11970362?

The InChI is InChI=1S/C20H14Cl2N4O7S2.2Na/c1-10-18(20(27)26(25-10)16-8-14(22)17(9-13(16)21)34(28,29)30)24-23-15-7-6-11-4-2-3-5-12(11)19(15)35(31,32)33;;/h2-9,18H,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2.

What is the InChIKey of the compound with PubChem CID 11970362?

The InChIKey is KRVDIUOUSKADMQ-UHFFFAOYSA-L.

What is the molecular weight of the compound with PubChem CID 11970362?

The molecular weight is 601.3 g/mol.

How many hydrogen bond donor counts are there in the compound with PubChem CID 11970362?

There are 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in the compound with PubChem CID 11970362?

There are 10 hydrogen bond acceptor counts.

How many rotatable bond counts are there in the compound with PubChem CID 11970362?

There are 3 rotatable bond counts.

What is the exact mass of the compound with PubChem CID 11970362?

The exact mass is 599.9319850 g/mol.

What is the topological polar surface area of the compound with PubChem CID 11970362?

The topological polar surface area is 189 ?2.