5-chloro-2-cyanophenylboronic acid

5-chloro-2-cyanophenylboronic acid

CAS: 1072946-52-1

Formula: C7H5BClNO2

SMILES: OB(O)C1=CC(Cl)=CC=C1C#N

IUPAC: (5-chloro-2-cyanophenyl)boronic acid

InChI: InChI=1S/C7H5BClNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3,11-12H

Composition: C (46.35%), H (2.78%), B (5.96%), Cl (19.54%), N (7.72%), O (17.64%)

Molar Mass: 181.38

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.010186
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JXIINQQPEHZQAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.13
Topological Polar Surface Area	64.25
Polarizability	17.27
Ring Count	1
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98.95%	<7 Days	1072946-52-1		$11.22-$838.70$11.22$24.31$84.15$419.82$838.70

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1072946-52-1		$195.46$195.46