4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

CAS: 1279722-88-1

Formula: C13H20BNO3

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

IUPAC: 4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

InChI: InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)10-8-9(16-5)6-7-11(10)15/h6-8H,15H2,1-5H3

Composition: C (62.68%), H (8.09%), B (4.34%), N (5.62%), O (19.27%)

Molar Mass: 249.12

Atom Count: 38

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.153624
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GALWMMRMNRFXLW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.88
Topological Polar Surface Area	53.71
Polarizability	27.66
Ring Count	2
Rotatable Bond Count	2

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