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2-fluoro-4-[(3-fluoro-4-methoxyphenyl)disulfanyl]-1-methoxybenzene

2-fluoro-4-[(3-fluoro-4-methoxyphenyl)disulfanyl]-1-methoxybenzene

CAS: 89818-28-0

Formula: C14H12F2O2S2

SMILES: COC1=CC=C(SSC2=CC=C(OC)C(F)=C2)C=C1F

IUPAC: 2-fluoro-4-[(3-fluoro-4-methoxyphenyl)disulfanyl]-1-methoxybenzene

InChI: InChI=1S/C14H12F2O2S2/c1-17-13-5-3-9(7-11(13)15)19-20-10-4-6-14(18-2)12(16)8-10/h3-8H,1-2H3

Composition: C (53.49%), H (3.85%), F (12.09%), O (10.18%), S (20.40%)

Molar Mass: 314.36

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 314.0246783
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XIZVVANPWMMGME-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.82
Topological Polar Surface Area 18.46
Polarizability 30.43
Ring Count 2
Rotatable Bond Count 5

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