5-bromo-4-chlorothiophene-2-carboxylic acid

5-bromo-4-chlorothiophene-2-carboxylic acid

CAS: 123418-69-9

Formula: C5H2BrClO2S

SMILES: OC(=O)C1=CC(Cl)=C(Br)S1

IUPAC: 5-bromo-4-chlorothiophene-2-carboxylic acid

InChI: InChI=1S/C5H2BrClO2S/c6-4-2(7)1-3(10-4)5(8)9/h1H,(H,8,9)

Composition: C (24.87%), H (0.83%), Br (33.09%), Cl (14.68%), O (13.25%), S (13.28%)

Molar Mass: 241.48

Atom Count: 12

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.864741
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KDAAIEHVVGYWRT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.79
Topological Polar Surface Area	37.3
Polarizability	16.58
Ring Count	1
Rotatable Bond Count	1

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