3-chloro-4-ethoxy-5-fluorophenylboronic acid

3-chloro-4-ethoxy-5-fluorophenylboronic acid

CAS: 2096334-30-2

Formula: C8H9BClFO3

SMILES: CCOC1=C(F)C=C(C=C1Cl)B(O)O

IUPAC: (3-chloro-4-ethoxy-5-fluorophenyl)boronic acid

InChI: InChI=1S/C8H9BClFO3/c1-2-14-8-6(10)3-5(9(12)13)4-7(8)11/h3-4,12-13H,2H2,1H3

Composition: C (43.99%), H (4.15%), B (4.95%), Cl (16.23%), F (8.70%), O (21.98%)

Molar Mass: 218.42

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.03173
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AAPPGBQQZJDSBE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.84
Topological Polar Surface Area	49.69
Polarizability	19.58
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2096334-30-2		$40.35-$180.32$40.35$68.09$180.32