2-(1,3,2-dioxaborolan-2-yl)benzonitrile

2-(1,3,2-dioxaborolan-2-yl)benzonitrile

CAS: 172732-52-4

Formula: C9H8BNO2

SMILES: N#CC1=C(C=CC=C1)B1OCCO1

IUPAC: 2-(1,3,2-dioxaborolan-2-yl)benzonitrile

InChI: InChI=1S/C9H8BNO2/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10/h1-4H,5-6H2

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	1
Asymmetric Atom Count	0
Exact Mass	173.064809
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GRFUGZGLLUTBFG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.32
Topological Polar Surface Area	42.25
Polarizability	18.46
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<5 Days	172732-52-4		$1,140.00-$1,700.00$1,140.00$1,700.00