2-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

2-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

Formula: C14H17BFNO2

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

IUPAC: 2-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

InChI: InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)11-7-10(5-6-17)8-12(16)9-11/h7-9H,5H2,1-4H3

Composition: C (64.40%), H (6.56%), B (4.14%), F (7.28%), N (5.36%), O (12.25%)

Molar Mass: 261.1

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.133637
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HZCSAUWTDSVKSA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.22
Topological Polar Surface Area	42.25
Polarizability	27.18
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H17BFNO2		Quote Only