3-(cyanomethoxy)phenylboronic acid

3-(cyanomethoxy)phenylboronic acid

CAS: 947533-25-7

Formula: C8H8BNO3

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

IUPAC: [3-(cyanomethoxy)phenyl]boronic acid

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

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	QEXGRJBUDVWWSC-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
97%	<7 Days	947533-25-7		$160.82-$310.42$160.82$310.42

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	947533-25-7		$40.35-$179.06$40.35$68.09$179.06