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Pigment yellow 3

CAT: 0804-HY-D1062Size: 1 EachDry Ice: NoHazardous: No
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Description
Pigment yellow 3 is a disazomethine dye with solid-state fluorescence.a biologically active chemical.
CAS Number
6486-23-3
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pigment-yellow-3.html
Solubility
10 mM in DMSO
Smiles
CC(C(/N=N/C1=CC=C(Cl)C=C1[N+]([O-])=O)C(NC2=CC=CC=C2Cl)=O)=O
Molecular Formula
C16H12Cl2N4O4
Molecular Weight
395.20
References & Citations
[1]Plötner J, Dreuw A. Solid state fluorescence of Pigment Yellow 101 and derivatives: a conserved property of the individual molecules[J]. Physical Chemistry Chemical Physics, 2006, 8 (10) : 1197-1204.
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Pigment Yellow 3
CAS Number6486-23-3
PubChem CID94326
IUPAC Name2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxobutanamide
Molecular FormulaC16H12Cl2N4O4
Molecular Weight395.2
XLogP4.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity569
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1Cl)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-3-2-4-11(12)18)21-20-13-7-6-10(17)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24)
InChIKey
QTSNFLIDNYOATQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pigment Yellow 3
CAS: 6486-23-3
CID: 94326
Formula: C16H12Cl2N4O4
MW: 395.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.2
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass394.0235603
Monoisotopic Mass394.0235603
Topological Polar Surface Area117 Ų
Heavy Atom Count26
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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