4-chlorophenyl trifluoromethanesulfonate

4-chlorophenyl trifluoromethanesulfonate

CAS: 29540-84-9

Formula: C7H4ClF3O3S

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

IUPAC: 4-chlorophenyl trifluoromethanesulfonate

InChI: InChI=1S/C7H4ClF3O3S/c8-5-1-3-6(4-2-5)14-15(12,13)7(9,10)11/h1-4H

Composition: C (32.26%), H (1.55%), Cl (13.60%), F (21.87%), O (18.42%), S (12.30%)

Molar Mass: 260.61

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.9521774
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NIIJLHLBNABUFL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.05
Topological Polar Surface Area	43.37
Polarizability	18.67
Ring Count	1
Rotatable Bond Count	3

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