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Pigment red 242

CAT: 0931-T87181-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87181-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52238-92-3
Target
Others
Related Pathways
Others
Bioactivity
Pigment Red 242 is a widely used commercial dye for bulk coloring plastics and synthetic fibers, as well as for surface coatings like paints and inks.
Smiles
N(=NC1=CC(C(F)(F)F)=CC=C1Cl)C=2C3=C(C=C(C(NC4=C(Cl)C=C(NC(=O)C=5C(O)=C(N=NC6=CC(C(F)(F)F)=CC=C6Cl)C7=C(C5)C=CC=C7)C(Cl)=C4)=O)C2O)C=CC=C3
Molecular Formula
C42H22Cl4F6N6O4
Molecular Weight
930.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Naphthalenecarboxamide, N,N'-(2,5-dichloro-1,4-phenylene)bis(4-(2-(2-chloro-5-(trifluoromethyl)phenyl)diazenyl)-3-hydroxy-

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CAS Number52238-92-3
PubChem CID104133
IUPAC Name4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-N-[2,5-dichloro-4-[[4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
Molecular FormulaC42H22Cl4F6N6O4
Molecular Weight930.5
XLogP14.3
Topological Polar Surface Area148
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count62
Formal Charge0
Complexity1500
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)C(F)(F)F)Cl)O)C(=O)NC4=CC(=C(C=C4Cl)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=C(C=CC(=C7)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C42H22Cl4F6N6O4/c43-27-11-9-21(41(47,48)49)15-33(27)55-57-35-23-7-3-1-5-19(23)13-25(37(35)59)39(61)53-31-17-30(46)32(18-29(31)45)54-40(62)26-14-20-6-2-4-8-24(20)36(38(26)60)58-56-34-16-22(42(50,51)52)10-12-28(34)44/h1-18,59-60H,(H,53,61)(H,54,62)
InChIKey
GEVPMCITMSGJKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Naphthalenecarboxamide, N,N'-(2,5-dichloro-1,4-phenylene)bis(4-(2-(2-chloro-5-(trifluoromethyl)phenyl)diazenyl)-3-hydroxy-
CAS: 52238-92-3
CID: 104133
Formula: C42H22Cl4F6N6O4
MW: 930.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight930.5
XLogP314.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass930.033133
Monoisotopic Mass928.036083
Topological Polar Surface Area148 Ų
Heavy Atom Count62
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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