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

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

CAS: 863578-36-3

Formula: C13H20BNO2

SMILES: CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(N)=C1

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

InChI: InChI=1S/C13H20BNO2/c1-9-6-7-10(11(15)8-9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3

Composition: C (66.98%), H (8.65%), B (4.64%), N (6.01%), O (13.73%)

Molar Mass: 233.12

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.158709
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PEXRISJTWBBZRY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.45
Topological Polar Surface Area 44.48
Polarizability 26.91
Ring Count 2
Rotatable Bond Count 1

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