4-(chlorosulfonyl)-3-fluorobenzoic acid

4-(chlorosulfonyl)-3-fluorobenzoic acid

CAS: 244606-33-5

Formula: C7H4ClFO4S

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

IUPAC: 4-(chlorosulfonyl)-3-fluorobenzoic acid

InChI: InChI=1S/C7H4ClFO4S/c8-14(12,13)6-2-1-4(7(10)11)3-5(6)9/h1-3H,(H,10,11)

Composition: C (35.24%), H (1.69%), Cl (14.86%), F (7.96%), O (26.82%), S (13.44%)

Molar Mass: 238.61

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.9502856
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BFEPIUXQMZTCQM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.72
Topological Polar Surface Area	71.44
Polarizability	18.73
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	244606-33-5		$122.32-$630.50$122.32$244.63$407.30$630.50