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4-(fluorosulfonyl)-3-methylbenzoic acid

4-(fluorosulfonyl)-3-methylbenzoic acid

CAS: 33866-06-7

Formula: C8H7FO4S

SMILES: CC1=CC(=CC=C1S(F)(=O)=O)C(O)=O

IUPAC: 4-(fluorosulfonyl)-3-methylbenzoic acid

InChI: InChI=1S/C8H7FO4S/c1-5-4-6(8(10)11)2-3-7(5)14(9,12)13/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 WSOAEHMAYVHGNK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.91
Topological Polar Surface Area 71.44
Polarizability 18.5
Ring Count 1
Rotatable Bond Count 2

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95% <5 Days 33866-06-7 $248.42$248.42
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