4-iodo-1-benzothiophene-2-carboxylic acid

4-iodo-1-benzothiophene-2-carboxylic acid

CAS: 176549-83-0

Formula: C9H5IO2S

SMILES: OC(=O)C1=CC2=C(I)C=CC=C2S1

IUPAC: 4-iodo-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H5IO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)

Composition: C (35.55%), H (1.66%), I (41.73%), O (10.52%), S (10.54%)

Molar Mass: 304.1

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	303.9055
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WXCFASJVNZNLJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.8
Topological Polar Surface Area	37.3
Polarizability	24.04
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	176549-83-0		$134.55-$1,828.50$134.55$157.55$201.25$286.35$457.70$1,828.50