What is the molecular formula of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The molecular formula is C20H13ClN4Na2O7S2.
What is the molecular weight of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The molecular weight is 566.9 g/mol.
When was the compound created and modified?
The compound was created on August 8, 2005, and last modified on December 23, 2023.
What is the IUPAC name of the compound?
The IUPAC name is disodium;2-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate.
What is the InChI of the compound?
The InChI is InChI=1S/C20H15ClN4O7S2.2Na/c1-11-18(20(26)25(24-11)17-10-13(33(27,28)29)7-8-15(17)21)23-22-16-9-6-12-4-2-3-5-14(12)19(16)34(30,31)32;;/h2-10,18H,1H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2.
What is the canonical SMILES of the compound?
The canonical SMILES is CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=C(C=CC(=C4)S(=O)(=O)[O-])Cl.[Na+].[Na+].
What is the CAS number of the compound?
The CAS number is 6359-95-1.
What is the European Community (EC) number of the compound?
The European Community (EC) number is 228-815-9.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count is 0.
What is the rotatable bond count of the compound?
The rotatable bond count is 3.
What is the IUPAC name of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The IUPAC name is disodium;2-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate.
What is the InChI of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The InChI is InChI=1S/C20H15ClN4O7S2.2Na/c1-11-18(20(26)25(24-11)17-10-13(33(27,28)29)7-8-15(17)21)23-22-16-9-6-12-4-2-3-5-14(12)19(16)34(30,31)32;;/h2-10,18H,1H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2.
What is the molecular formula of the parent compound of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The parent compound's CID is 110832.
What is the CAS number of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The CAS number is 6359-95-1.
What is the European Community (EC) number of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The EC number is 228-815-9.
What is the hydrogen bond donor count of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The hydrogen bond donor count is 0.
What is the hydrogen bond acceptor count of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The hydrogen bond acceptor count is 10.
What is the topological polar surface area of disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?
The topological polar surface area is 189 ?2.