3-chloro-4-hydroxy-5,7-diiodo-1-benzothiophene-2-carboxylic acid

3-chloro-4-hydroxy-5,7-diiodo-1-benzothiophene-2-carboxylic acid

Formula: C9H3ClI2O3S

SMILES: OC(=O)C1=C(Cl)C2=C(O)C(I)=CC(I)=C2S1

IUPAC: 3-chloro-4-hydroxy-5,7-diiodo-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H3ClI2O3S/c10-5-4-6(13)2(11)1-3(12)7(4)16-8(5)9(14)15/h1,13H,(H,14,15)

Composition: C (22.50%), H (0.63%), Cl (7.38%), I (52.83%), O (9.99%), S (6.67%)

Molar Mass: 480.44

Atom Count: 19

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	479.75808
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JNMNRZJIYHEULM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.95
Topological Polar Surface Area	57.53
Polarizability	32.28
Ring Count	2
Rotatable Bond Count	1

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C9H3ClI2O3S		$401.00-$4,136.00$401.00$2,200.00$4,136.00