isoquinolin-7-ylboronic acid

isoquinolin-7-ylboronic acid

CAS: 1092790-21-0

Formula: C9H8BNO2

SMILES: OB(O)C1=CC2=CN=CC=C2C=C1

IUPAC: (isoquinolin-7-yl)boronic acid

InChI: InChI=1S/C9H8BNO2/c12-10(13)9-2-1-7-3-4-11-6-8(7)5-9/h1-6,12-13H

Composition: C (62.49%), H (4.66%), B (6.25%), N (8.10%), O (18.50%)

Molar Mass: 172.98

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	173.064809
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SVSZHSMOMDNMLS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.9
Topological Polar Surface Area	53.35
Polarizability	20.17
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	1092790-21-0		Quote Only

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1092790-21-0		$171.50-$619.15$171.50$619.15