2-fluoro-4-methanesulfonyl-1-methylbenzene

2-fluoro-4-methanesulfonyl-1-methylbenzene

CAS: 828270-60-6

Formula: C8H9FO2S

SMILES: CC1=CC=C(C=C1F)S(C)(=O)=O

IUPAC: 2-fluoro-4-methanesulfonyl-1-methylbenzene

InChI: InChI=1S/C8H9FO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3

Composition: C (51.05%), H (4.82%), F (10.09%), O (17.00%), S (17.03%)

Molar Mass: 188.22

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.030728867
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JVSGZPNRSFBICJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.32
Topological Polar Surface Area	34.14
Polarizability	17.8
Ring Count	1
Rotatable Bond Count	1

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