3-chloro-5-(hydroxymethyl)phenylboronic acid

3-chloro-5-(hydroxymethyl)phenylboronic acid

CAS: 2121512-87-4

Formula: C7H8BClO3

SMILES: OCC1=CC(Cl)=CC(=C1)B(O)O

IUPAC: [3-chloro-5-(hydroxymethyl)phenyl]boronic acid

InChI: InChI=1S/C7H8BClO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,10-12H,4H2

Composition: C (45.11%), H (4.33%), B (5.80%), Cl (19.02%), O (25.75%)

Molar Mass: 186.4

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.025502
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	GAIOEGMKZDBACM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.22
Topological Polar Surface Area	60.69
Polarizability	17.9
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2121512-87-4		$34.05-$272.38$34.05$90.79$272.38