2-chloro-4-fluoro-3-methoxyphenylboronic acid

2-chloro-4-fluoro-3-methoxyphenylboronic acid

CAS: 943831-11-6

Formula: C7H7BClFO3

SMILES: COC1=C(F)C=CC(B(O)O)=C1Cl

IUPAC: (2-chloro-4-fluoro-3-methoxyphenyl)boronic acid

InChI: InChI=1S/C7H7BClFO3/c1-13-7-5(10)3-2-4(6(7)9)8(11)12/h2-3,11-12H,1H3

Composition: C (41.14%), H (3.45%), B (5.29%), Cl (17.34%), F (9.30%), O (23.48%)

Molar Mass: 204.39

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.01608
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JJCNIMMFMDOIAR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.09
Topological Polar Surface Area	49.69
Polarizability	17.77
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	943831-11-6		$134.93-$461.53$134.93$191.67$461.53