methyl 3,5-dimethyl-4-(trifluoromethanesulfonyloxy)benzoate

methyl 3,5-dimethyl-4-(trifluoromethanesulfonyloxy)benzoate

CAS: 341006-48-2

Formula: C11H11F3O5S

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

IUPAC: methyl 3,5-dimethyl-4-(trifluoromethanesulfonyloxy)benzoate

InChI: InChI=1S/C11H11F3O5S/c1-6-4-8(10(15)18-3)5-7(2)9(6)19-20(16,17)11(12,13)14/h4-5H,1-3H3

Composition: C (42.31%), H (3.55%), F (18.25%), O (25.62%), S (10.27%)

Molar Mass: 312.26

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	312.027929117
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LDBAVJDFQNAEKO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.35
Topological Polar Surface Area	69.67
Polarizability	24.64
Ring Count	1
Rotatable Bond Count	5

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