4-fluoro-3-methylphenyl trifluoromethanesulfonate

4-fluoro-3-methylphenyl trifluoromethanesulfonate

CAS: 1446016-90-5

Formula: C8H6F4O3S

SMILES: CC1=C(F)C=CC(OS(=O)(=O)C(F)(F)F)=C1

IUPAC: 4-fluoro-3-methylphenyl trifluoromethanesulfonate

InChI: InChI=1S/C8H6F4O3S/c1-5-4-6(2-3-7(5)9)15-16(13,14)8(10,11)12/h2-4H,1H3

Composition: C (37.22%), H (2.34%), F (29.43%), O (18.59%), S (12.42%)

Molar Mass: 258.19

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.997377879
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RQZKQOZJMUOESI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.5
Topological Polar Surface Area	43.37
Polarizability	18.3
Ring Count	1
Rotatable Bond Count	3

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90%	<2 Days	1446016-90-5		$51.35-$86.31$51.35$63.37$86.31