4-fluoro-1-benzothiophene-2-carboxylic acid

4-fluoro-1-benzothiophene-2-carboxylic acid

CAS: 310466-37-6

Formula: C9H5FO2S

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

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

InChI: InChI=1S/C9H5FO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)

Composition: C (55.10%), H (2.57%), F (9.68%), O (16.31%), S (16.34%)

Molar Mass: 196.2

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	195.999428738
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZKADPMNICCXSRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.65
Topological Polar Surface Area	37.3
Polarizability	18.55
Ring Count	2
Rotatable Bond Count	1

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