3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid

3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid

CAS: 34576-92-6

Formula: C9H4ClFO2S

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

IUPAC: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13)

Composition: C (46.87%), H (1.75%), Cl (15.37%), F (8.24%), O (13.87%), S (13.90%)

Molar Mass: 230.64

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	229.9604564
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HSRSWUJIPYUCSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.46
Topological Polar Surface Area	37.3
Polarizability	20.53
Ring Count	2
Rotatable Bond Count	1

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