4-bromo-6-fluoro-1-benzothiophene-2-carboxylic acid

4-bromo-6-fluoro-1-benzothiophene-2-carboxylic acid

CAS: 826995-60-2

Formula: C9H4BrFO2S

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

IUPAC: 4-bromo-6-fluoro-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H4BrFO2S/c10-6-1-4(11)2-7-5(6)3-8(14-7)9(12)13/h1-3H,(H,12,13)

Composition: C (39.30%), H (1.47%), Br (29.05%), F (6.91%), O (11.63%), S (11.65%)

Molar Mass: 275.09

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	273.909942
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PXGFZIQMCBVBMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.28
Topological Polar Surface Area	37.3
Polarizability	21.53
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<7 Days	826995-60-2		$294.98-$955.31$294.98$479.21$955.31