4-tert-butylphenyl trifluoromethanesulfonate

4-tert-butylphenyl trifluoromethanesulfonate

CAS: 154318-75-9

Formula: C11H13F3O3S

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

IUPAC: 4-tert-butylphenyl trifluoromethanesulfonate

InChI: InChI=1S/C11H13F3O3S/c1-10(2,3)8-4-6-9(7-5-8)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	LNLGXWZOBTUQSC-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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