4-iodophenyl trifluoromethanesulfonate

4-iodophenyl trifluoromethanesulfonate

CAS: 109586-39-2

Formula: C7H4F3IO3S

SMILES: FC(F)(F)S(=O)(=O)OC1=CC=C(I)C=C1

IUPAC: 4-iodophenyl trifluoromethanesulfonate

InChI: InChI=1S/C7H4F3IO3S/c8-7(9,10)15(12,13)14-6-3-1-5(11)2-4-6/h1-4H

Composition: C (23.88%), H (1.15%), F (16.19%), I (36.05%), O (13.63%), S (9.11%)

Molar Mass: 352.07

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	351.88779
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PUSVLEDDCGLWNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.6
Topological Polar Surface Area	43.37
Polarizability	22.26
Ring Count	1
Rotatable Bond Count	3

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