3-chloro-7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid

3-chloro-7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid

Formula: C9H4ClFO3S

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

IUPAC: 3-chloro-7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H4ClFO3S/c10-6-5-4(12)2-1-3(11)7(5)15-8(6)9(13)14/h1-2,12H,(H,13,14)

Composition: C (43.83%), H (1.63%), Cl (14.37%), F (7.70%), O (19.46%), S (13.00%)

Molar Mass: 246.64

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	245.955371
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YOLGTGPDSFGAND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.44
Topological Polar Surface Area	57.53
Polarizability	21.22
Ring Count	2
Rotatable Bond Count	1

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C9H4ClFO3S		$2,420.00-$4,224.00$2,420.00$3,190.00$4,224.00