3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS: 1212021-11-8

Formula: C13H15BClNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC(Cl)=C1)C#N

IUPAC: 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

InChI: InChI=1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3

Composition: C (59.25%), H (5.74%), B (4.10%), Cl (13.45%), N (5.32%), O (12.14%)

Molar Mass: 263.53

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	263.088436
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AAZQJHZPPYLORA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.24
Topological Polar Surface Area	42.25
Polarizability	27.7
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1212021-11-8		$45.40-$153.84$45.40$74.40$153.84