3-chloro-5,7-dimethoxy-1-benzothiophene-2-carboxylic acid

3-chloro-5,7-dimethoxy-1-benzothiophene-2-carboxylic acid

CAS: 926210-53-9

Formula: C11H9ClO4S

SMILES: COC1=CC(OC)=C2SC(C(O)=O)=C(Cl)C2=C1

IUPAC: 3-chloro-5,7-dimethoxy-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C11H9ClO4S/c1-15-5-3-6-8(12)10(11(13)14)17-9(6)7(4-5)16-2/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	KLSQLDOFONCIEG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.17
Topological Polar Surface Area	55.76
Polarizability	25.87
Ring Count	2
Rotatable Bond Count	3

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95%	<5 Days	926210-53-9		$1,474.00-$3,894.00$1,474.00$2,596.00$3,894.00