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(1,1,1-trifluoropropan-2-yl)benzene

(1,1,1-trifluoropropan-2-yl)benzene

Formula: C9H9F3

SMILES: CC(C1=CC=CC=C1)C(F)(F)F

IUPAC: (1,1,1-trifluoropropan-2-yl)benzene

InChI: InChI=1/C9H9F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h2-7H,1H3

Composition: C (62.07%), H (5.21%), F (32.72%)

Molar Mass: 174.166

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 174.065634779
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey LXYXDDCJRHYYKF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.11
Topological Polar Surface Area 0
Polarizability 15.01
Ring Count 1
Rotatable Bond Count 2

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Kinentia Biosciences LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C9H9F3 $96.39-$153.09$96.39$153.09
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