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2-tert-butylphenyl trifluoromethanesulfonate

2-tert-butylphenyl trifluoromethanesulfonate

Formula: C11H13F3O3S

SMILES: CC(C)(C)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F

IUPAC: 2-tert-butylphenyl trifluoromethanesulfonate

InChI: InChI=1S/C11H13F3O3S/c1-10(2,3)8-6-4-5-7-9(8)17-18(15,16)11(12,13)14/h4-7H,1-3H3

Composition: C (46.81%), H (4.64%), F (20.19%), O (17.00%), S (11.36%)

Molar Mass: 282.28

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 282.053749942
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AZQMAJJXUBCFCX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.91
Topological Polar Surface Area 43.37
Polarizability 23.74
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C11H13F3O3S $153.34-$926.59$153.34$302.94$926.59
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98% <10 Days C11H13F3O3S Quote Only
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