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(1's,4'r)-4-(2,3-difluoro-4-propoxyphenyl)-4'-propyl-1,1'-bi(cyclohexane)

(1's,4'r)-4-(2,3-difluoro-4-propoxyphenyl)-4'-propyl-1,1'-bi(cyclohexane)

CAS: 473257-14-6

Formula: C24H36F2O

SMILES: CCCOC1=CC=C(C2CC[C@@H](CC2)[C@H]2CC[C@H](CCC)CC2)C(F)=C1F

IUPAC: (1's,4'r)-4-(2,3-difluoro-4-propoxyphenyl)-4'-propyl-1,1'-bi(cyclohexane)

InChI: InChI=1/C24H36F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h14-15,17-20H,3-13,16H2,1-2H3/t17-,18-,19-,20?

Composition: C (76.15%), H (9.59%), F (10.04%), O (4.23%)

Molar Mass: 378.548

Atom Count: 63

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 378.273422105
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey WGONOKAJJBMHGL-FSAMXWRKNA-N
Lipinski's Rule of Five
Molar Refractivity 107.87
Topological Polar Surface Area 9.23
Polarizability 41.92
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 473257-14-6 $27.74-$284.99$27.74$90.79$284.99
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