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1-(prop-2-yn-1-yloxy)-2-(trifluoromethyl)benzene

1-(prop-2-yn-1-yloxy)-2-(trifluoromethyl)benzene

CAS: 890839-62-0

Formula: C10H7F3O

SMILES: FC(F)(F)C1=CC=CC=C1OCC#C

IUPAC: 1-(prop-2-yn-1-yloxy)-2-(trifluoromethyl)benzene

InChI: InChI=1S/C10H7F3O/c1-2-7-14-9-6-4-3-5-8(9)10(11,12)13/h1,3-6H,7H2

Composition: C (60.01%), H (3.53%), F (28.47%), O (7.99%)

Molar Mass: 200.16

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.044899334
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IKGNZIALFAQKTH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.08
Topological Polar Surface Area 9.23
Polarizability 16.58
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 890839-62-0 $227.70-$1,587.00$227.70$342.70$572.70$977.50$1,587.00
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