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C.I. Acid red 183

CAT: 0931-T85951-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T85951-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6408-31-7
Target
Others
Related Pathways
Others
Bioactivity
C.I. Acid Red 183 is an acid red dye that can be adsorbed and removed by [bentone clay].
Smiles
[OH-][Cr+3]12[N](C3=CC(Cl)=CC(S(=O)([O-])=O)=C3[O-]2)=N[C-]4C(N(C5=CC(S(=O)([O-])=O)=CC=C5)N=C4C)=O1.[Na+].[Na+]
Molecular Formula
C16H9ClCrN4Na2O9S2
Molecular Weight
598.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acid Red 183

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CAS Number6408-31-7
PubChem CID135889502
IUPAC Namedisodium;5-chloro-2-hydroxy-3-[[5-methyl-3-oxo-2-(3-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonate
Molecular FormulaC16H11ClN4Na2O8S2
Molecular Weight532.8
Topological Polar Surface Area208
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity961
SMILES
CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)[O-])N=NC3=C(C(=CC(=C3)Cl)S(=O)(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C16H13ClN4O8S2.2Na/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26;;/h2-7,20,22H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChIKey
ISHFJEIJJFNXML-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Acid Red 183
CAS: 6408-31-7
CID: 135889502
Formula: C16H11ClN4Na2O8S2
MW: 532.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass531.9502219
Monoisotopic Mass531.9502219
Topological Polar Surface Area208 Ų
Heavy Atom Count33
Formal Charge0
Complexity961
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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