3-cyanophenyl boranecarboxylate

3-cyanophenyl boranecarboxylate

CAS: 684648-40-6

Formula: C8H6BNO2

SMILES: BC(=O)OC1=CC(=CC=C1)C#N

IUPAC: 3-cyanophenyl boranecarboxylate

InChI: InChI=1S/C8H6BNO2/c9-8(11)12-7-3-1-2-6(4-7)5-10/h1-4H,9H2

Composition: C (60.45%), H (3.80%), B (6.80%), N (8.81%), O (20.13%)

Molar Mass: 158.95

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	159.049158
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CFXDYXGOIIURPN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.09
Topological Polar Surface Area	50.09
Polarizability	16.73
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	684648-40-6		$498.00-$590.00$498.00$590.00