2-chloro-3-cyanophenylboronic acid

2-chloro-3-cyanophenylboronic acid

Formula: C7H5BClNO2

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

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

InChI: InChI=1S/C7H5BClNO2/c9-7-5(4-10)2-1-3-6(7)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	NEEMUTRFSOHDIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.13
Topological Polar Surface Area	64.25
Polarizability	17.29
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C7H5BClNO2		Quote Only