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1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanol

1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanol

CAS: 131252-26-1

Formula: C10H11F3O3

SMILES: COC1=CC=C(C=C1OC)C(O)C(F)(F)F

IUPAC: 1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethan-1-ol

InChI: InChI=1/C10H11F3O3/c1-15-7-4-3-6(5-8(7)16-2)9(14)10(11,12)13/h3-5,9,14H,1-2H3

Composition: C (50.85%), H (4.69%), F (24.13%), O (20.32%)

Molar Mass: 236.19

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 236.066028703
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QJIGHVHBCKDJTB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.92
Topological Polar Surface Area 38.69
Polarizability 19.13
Ring Count 1
Rotatable Bond Count 4

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99.85% <7 Days 131252-26-1 $100.98-$1,122.00$100.98$168.30$374.00$1,122.00
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