3-chloro-4,6-dimethoxy-1-benzothiophene-2-carboxylic acid

3-chloro-4,6-dimethoxy-1-benzothiophene-2-carboxylic acid

Formula: C11H9ClO4S

SMILES: COC1=CC(OC)=C2C(Cl)=C(SC2=C1)C(O)=O

IUPAC: 3-chloro-4,6-dimethoxy-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C11H9ClO4S/c1-15-5-3-6(16-2)8-7(4-5)17-10(9(8)12)11(13)14/h3-4H,1-2H3,(H,13,14)

Composition: C (48.45%), H (3.33%), Cl (13.00%), O (23.47%), S (11.76%)

Molar Mass: 272.7

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	271.9910076
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JXASVEHAEHTRRQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.17
Topological Polar Surface Area	55.76
Polarizability	25.86
Ring Count	2
Rotatable Bond Count	3

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C11H9ClO4S		$2,200.00-$4,136.00$2,200.00$4,136.00