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1-ethynyl-3-{[4-(trifluoromethyl)phenyl]methoxy}benzene

1-ethynyl-3-{[4-(trifluoromethyl)phenyl]methoxy}benzene

Formula: C16H11F3O

SMILES: FC(F)(F)C1=CC=C(COC2=CC(=CC=C2)C#C)C=C1

IUPAC: 1-ethynyl-3-{[4-(trifluoromethyl)phenyl]methoxy}benzene

InChI: InChI=1S/C16H11F3O/c1-2-12-4-3-5-15(10-12)20-11-13-6-8-14(9-7-13)16(17,18)19/h1,3-10H,11H2

Composition: C (69.56%), H (4.01%), F (20.63%), O (5.79%)

Molar Mass: 276.258

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 276.076199463
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZFUTVVMPDPSZRE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.28
Topological Polar Surface Area 9.23
Polarizability 25.99
Ring Count 2
Rotatable Bond Count 4

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C16H11F3O $1,001.00-$1,700.00$1,001.00$1,700.00
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