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3,6-diphenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

3,6-diphenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

CAS: 339013-24-0

Formula: C22H14F3N3O

SMILES: FC(F)(F)C1=CC(OC2=NC(=NN=C2C2=CC=CC=C2)C2=CC=CC=C2)=CC=C1

IUPAC: 3,6-diphenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

InChI: InChI=1S/C22H14F3N3O/c23-22(24,25)17-12-7-13-18(14-17)29-21-19(15-8-3-1-4-9-15)27-28-20(26-21)16-10-5-2-6-11-16/h1-14H

Composition: C (67.17%), H (3.59%), F (14.49%), N (10.68%), O (4.07%)

Molar Mass: 393.369

Atom Count: 43

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 393.108896572
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HSDJWIPFHKPFFN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 115.29
Topological Polar Surface Area 47.9
Polarizability 40.12
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339013-24-0 $51.35-$86.31$51.35$63.37$86.31
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