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

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

CAS: 1196972-92-5

Formula: C13H17BF3NO2

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

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

InChI: InChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)9-6-5-8(7-10(9)18)13(15,16)17/h5-7H,18H2,1-4H3

Composition: C (54.39%), H (5.97%), B (3.77%), F (19.85%), N (4.88%), O (11.15%)

Molar Mass: 287.09

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	287.130443
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SKIXIDYMMJBOTF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.39
Topological Polar Surface Area	44.48
Polarizability	26.22
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1196972-92-5		$40.35-$648.15$40.35$68.09$179.06$648.15