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Pigment yellow 3

CAT: 0931-T87205-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87205-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6486-23-3
Target
Others
Related Pathways
Others
Bioactivity
Pigment Yellow 3, a biologically active chemical, is a disazomethine dye with solid-state fluorescence.
Smiles
N(=NC(C(NC1=C(Cl)C=CC=C1)=O)C(C)=O)C2=C(N(=O)=O)C=C(Cl)C=C2
Molecular Formula
C16H12Cl2N4O4
Molecular Weight
395.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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