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

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

CAS: 475272-13-0

Formula: C14H18BNO3

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

IUPAC: 2-[4-(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)11-5-7-12(8-6-11)17-10-9-16/h5-8H,10H2,1-4H3

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 KUWMNVDETFAUDB-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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