AC1NURBL

sodium 3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-2-hydroxy-5-nitrobenzenesulfonate

Also Known As: C.I. Mordant Orange 4, monosodium salt|Benzenesulfonic acid, 3-((1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitro-, monosodium salt|Benzenesulfonic acid, 3-(2-(1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-2-hydroxy-5-nitro-, sodium salt (1:1)|Benzenesulfonic acid, 3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxy-5-nitro-, monosodium salt|Benzenesulfonic acid, 3-[2-[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxy-5-nitro-, sodium salt (1:1)|Benzenesulfonic acid,3-[2-[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxy-5-nitro-,sodium salt (1:1)|Benzenesulfonic acid, 5-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-imidazol-4-yl]azo]-5-nitro-, monosodium salt|sodium (5E)-5-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-3-nitro-6-oxocyclohexa-1,3-diene-1-sulfonate|Sodium 3-((1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulphonate|SODIUM 3-[[1-(3-CHLOROPHENYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL]AZO]-2-HYDROXY-5-NITROBENZENESULPHONATE|Sodium 3-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-hydroxy-5-nitrobenzene-1-sulfonate

Molecular Formula	C16H11ClN5NaO7S
Molecular Weight	474.99655 g/mol
LogP	-0.2631
Topological Polar Surface Area	189.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	474.99655
Monoisotopic Mass	474.99655
Heavy Atoms	31
Complexity	842.0

Chemical Identifiers

CAS Number	6359-96-2
SMILES	CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])O)C3=CC(=CC=C3)Cl.[Na+]
InChIKey	HDNIIDKHCASDLF-UHFFFAOYSA-M