3-(chlorosulfonyl)-4-iodobenzoic acid

3-(chlorosulfonyl)-4-iodobenzoic acid

CAS: 402934-49-0

Formula: C7H4ClIO4S

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

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

InChI: InChI=1S/C7H4ClIO4S/c8-14(12,13)6-3-4(7(10)11)1-2-5(6)9/h1-3H,(H,10,11)

Composition: C (24.26%), H (1.16%), Cl (10.23%), I (36.62%), O (18.47%), S (9.25%)

Molar Mass: 346.52

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	345.85635
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YSVCWSFJQFGRHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.87
Topological Polar Surface Area	71.44
Polarizability	24.35
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	402934-49-0		$500.62$500.62