3-fluoro-4-(fluorosulfonyl)benzoic acid

3-fluoro-4-(fluorosulfonyl)benzoic acid

CAS: 1936674-88-2

Formula: C7H4F2O4S

SMILES: OC(=O)C1=CC=C(C(F)=C1)S(F)(=O)=O

IUPAC: 3-fluoro-4-(fluorosulfonyl)benzoic acid

InChI: InChI=1S/C7H4F2O4S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3H,(H,10,11)

Composition: C (37.84%), H (1.81%), F (17.10%), O (28.81%), S (14.43%)

Molar Mass: 222.16

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.979836109
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PSZRVDQRZALPHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.09
Topological Polar Surface Area	71.44
Polarizability	16.66
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1936674-88-2		$146.28-$684.72$146.28$247.16$684.72