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

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

CAS: 936250-18-9

Formula: C14H18BNO3

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

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

InChI: InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)11-6-5-7-12(10-11)17-9-8-16/h5-7,10H,9H2,1-4H3

Composition: C (64.90%), H (7.00%), B (4.17%), N (5.41%), O (18.52%)

Molar Mass: 259.11

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.137973
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DROXVQHBOYMKPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.24
Topological Polar Surface Area	51.48
Polarizability	28.2
Ring Count	2
Rotatable Bond Count	3

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