(4-cyano-2-fluorophenyl)methanesulfonyl chloride

(4-cyano-2-fluorophenyl)methanesulfonyl chloride

CAS: 1258640-95-7

Formula: C8H5ClFNO2S

SMILES: FC1=C(CS(Cl)(=O)=O)C=CC(=C1)C#N

IUPAC: (4-cyano-2-fluorophenyl)methanesulfonyl chloride

InChI: InChI=1S/C8H5ClFNO2S/c9-14(12,13)5-7-2-1-6(4-11)3-8(7)10/h1-3H,5H2

Composition: C (41.13%), H (2.16%), Cl (15.17%), F (8.13%), N (6.00%), O (13.70%), S (13.72%)

Molar Mass: 233.64

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.9713554
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KXJKOIIZOQIQNQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.78
Topological Polar Surface Area	57.93
Polarizability	19.92
Ring Count	1
Rotatable Bond Count	2

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