4-(cyanomethoxy)phenylboronic acid

4-(cyanomethoxy)phenylboronic acid

CAS: 947533-23-5

Formula: C8H8BNO3

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

IUPAC: [4-(cyanomethoxy)phenyl]boronic acid

InChI: InChI=1S/C8H8BNO3/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,11-12H,6H2

Composition: C (54.30%), H (4.56%), B (6.11%), N (7.92%), O (27.12%)

Molar Mass: 176.97

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	177.059723
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GKJPNYHKHSLHCC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.13
Topological Polar Surface Area	73.48
Polarizability	17.75
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	947533-23-5		$37.83-$177.80$37.83$66.83$177.80