2-chloro-4,5-dimethoxyphenylboronic acid

2-chloro-4,5-dimethoxyphenylboronic acid

CAS: 950662-22-3

Formula: C8H10BClO4

SMILES: COC1=CC(Cl)=C(C=C1OC)B(O)O

IUPAC: (2-chloro-4,5-dimethoxyphenyl)boronic acid

InChI: InChI=1S/C8H10BClO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4,11-12H,1-2H3

Composition: C (44.40%), H (4.66%), B (4.99%), Cl (16.38%), O (29.57%)

Molar Mass: 216.42

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.036067
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NSVSDBMTEFWBQY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.33
Topological Polar Surface Area	58.92
Polarizability	20.52
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	950662-22-3		$47.92-$225.72$47.92$81.97$225.72