5-chloro-1-benzothiophene-2-carboxylic acid

5-chloro-1-benzothiophene-2-carboxylic acid

CAS: 13771-75-0

Formula: C9H5ClO2S

SMILES: OC(=O)C1=CC2=CC(Cl)=CC=C2S1

IUPAC: 5-chloro-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H5ClO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)

Composition: C (50.83%), H (2.37%), Cl (16.67%), O (15.05%), S (15.08%)

Molar Mass: 212.65

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	211.9698783
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PKIXUVKUGMYKRU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.24
Topological Polar Surface Area	37.3
Polarizability	20.73
Ring Count	2
Rotatable Bond Count	1

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