phenyl trifluoromethanesulfonate

phenyl trifluoromethanesulfonate

CAS: 17763-67-6

Formula: C7H5F3O3S

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

IUPAC: phenyl trifluoromethanesulfonate

InChI: InChI=1S/C7H5F3O3S/c8-7(9,10)14(11,12)13-6-4-2-1-3-5-6/h1-5H

Composition: C (37.17%), H (2.23%), F (25.20%), O (21.22%), S (14.18%)

Molar Mass: 226.17

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.991149684
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GRJHONXDTNBDTC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.24
Topological Polar Surface Area	43.37
Polarizability	16.66
Ring Count	1
Rotatable Bond Count	3

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