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

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

CAS: 1256359-92-8

Formula: C15H20BNO4

SMILES: COC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(OCC#N)=C1

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

InChI: InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)12-7-6-11(18-5)10-13(12)19-9-8-17/h6-7,10H,9H2,1-5H3

Composition: C (62.31%), H (6.97%), B (3.74%), N (4.84%), O (22.13%)

Molar Mass: 289.14

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	289.148538
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	DMOOJGXHWRDFCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.7
Topological Polar Surface Area	60.71
Polarizability	30.73
Ring Count	2
Rotatable Bond Count	4

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