2-fluoro-5-methanesulfonylbenzoic acid

2-fluoro-5-methanesulfonylbenzoic acid

CAS: 247569-56-8

Formula: C8H7FO4S

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

IUPAC: 2-fluoro-5-methanesulfonylbenzoic acid

InChI: InChI=1S/C8H7FO4S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

Composition: C (44.04%), H (3.23%), F (8.71%), O (29.33%), S (14.69%)

Molar Mass: 218.2

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.004908042
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ACBAHAXPEQHVHO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.53
Topological Polar Surface Area	71.44
Polarizability	18.53
Ring Count	1
Rotatable Bond Count	2

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