5-chloro-2-(methoxycarbonyl)phenylboronic acid

5-chloro-2-(methoxycarbonyl)phenylboronic acid

CAS: 957062-64-5

Formula: C8H8BClO4

SMILES: COC(=O)C1=CC=C(Cl)C=C1B(O)O

IUPAC: [5-chloro-2-(methoxycarbonyl)phenyl]boronic acid

InChI: InChI=1S/C8H8BClO4/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,12-13H,1H3

Composition: C (44.82%), H (3.76%), B (5.04%), Cl (16.53%), O (29.85%)

Molar Mass: 214.41

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.020416
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JHPMDNPILTXCFY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.43
Topological Polar Surface Area	66.76
Polarizability	19.92
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	957062-64-5		$45.40-$428.74$45.40$123.58$428.74