2-chloro-3-methylphenylboronic acid

2-chloro-3-methylphenylboronic acid

CAS: 915070-53-0

Formula: C7H8BClO2

SMILES: CC1=C(Cl)C(=CC=C1)B(O)O

IUPAC: (2-chloro-3-methylphenyl)boronic acid

InChI: InChI=1S/C7H8BClO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,10-11H,1H3

Composition: C (49.34%), H (4.73%), B (6.34%), Cl (20.80%), O (18.78%)

Molar Mass: 170.4

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.030587
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	JARHIHWQCALALV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.45
Topological Polar Surface Area	40.46
Polarizability	17.18
Ring Count	1
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<5 Days	915070-53-0		$44.14-$388.39$44.14$112.23$388.39