[4-(trifluoromethyl)phenyl]methanesulfonyl chloride

[4-(trifluoromethyl)phenyl]methanesulfonyl chloride

CAS: 163295-75-8

Formula: C8H6ClF3O2S

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

IUPAC: [4-(trifluoromethyl)phenyl]methanesulfonyl chloride

InChI: InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2

Composition: C (37.15%), H (2.34%), Cl (13.71%), F (22.04%), O (12.37%), S (12.40%)

Molar Mass: 258.64

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.9729128
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KKBNUPMMAGEQAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.81
Topological Polar Surface Area	34.14
Polarizability	19.66
Ring Count	1
Rotatable Bond Count	3

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