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

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

CAS: 1256359-27-9

Formula: C13H17BF3NO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(OC(F)(F)F)C=C1N

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

InChI: InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)9-6-5-8(7-10(9)18)19-13(15,16)17/h5-7H,18H2,1-4H3

Composition: C (51.52%), H (5.65%), B (3.57%), F (18.80%), N (4.62%), O (15.84%)

Molar Mass: 303.09

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	303.125358
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AEAKBFSIFAZERW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.48
Topological Polar Surface Area	53.71
Polarizability	26.99
Ring Count	2
Rotatable Bond Count	3

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