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

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

CAS: 106044-11-5

Formula: C8H5Cl2F3O

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

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

InChI: InChI=1/C8H5Cl2F3O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3,7,14H

Composition: C (39.22%), H (2.06%), Cl (28.94%), F (23.26%), O (6.53%)

Molar Mass: 245.02

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 243.9669547
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey GOCHXDOXYWWSKG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.6
Topological Polar Surface Area 20.23
Polarizability 18.04
Ring Count 1
Rotatable Bond Count 2

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98% <7 Days 106044-11-5 $83.22-$376.81$83.22$140.25$376.81
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