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

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

CAS: 1350377-66-0

Formula: C13H20BNO3

SMILES: COC1=C(C=CC(N)=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 3-methoxy-4-(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)10-7-6-9(15)8-11(10)16-5/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	ZYFRJTZQMFNEHS-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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