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

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

CAS: 396131-82-1

Formula: C14H18BNO2

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

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

InChI: InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10H,8H2,1-4H3

Composition: C (69.17%), H (7.46%), B (4.45%), N (5.76%), O (13.16%)

Molar Mass: 243.11

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.143059
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LIWPKYSGWSFPEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66
Topological Polar Surface Area	42.25
Polarizability	27.52
Ring Count	2
Rotatable Bond Count	2

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