7-bromo-4-fluoro-1-benzofuran-5-carboxylic acid

7-bromo-4-fluoro-1-benzofuran-5-carboxylic acid

CAS: 2227206-54-2

Formula: C9H4BrFO3

SMILES: OC(=O)C1=CC(Br)=C2OC=CC2=C1F

IUPAC: 7-bromo-4-fluoro-1-benzofuran-5-carboxylic acid

InChI: InChI=1S/C9H4BrFO3/c10-6-3-5(9(12)13)7(11)4-1-2-14-8(4)6/h1-3H,(H,12,13)

Composition: C (41.73%), H (1.56%), Br (30.85%), F (7.33%), O (18.53%)

Molar Mass: 259.03

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	257.932785
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LRLWRVKUGNQOAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.99
Topological Polar Surface Area	50.44
Polarizability	19.77
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2227206-54-2		$252.20-$1,039.06$252.20$403.52$694.81$1,039.06