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

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

CAS: 1146214-86-9

Formula: C15H18BF3O4

SMILES: COC(=O)C1=CC=C(C=C1B1OC(C)(C)C(C)(C)O1)C(F)(F)F

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

InChI: InChI=1S/C15H18BF3O4/c1-13(2)14(3,4)23-16(22-13)11-8-9(15(17,18)19)6-7-10(11)12(20)21-5/h6-8H,1-5H3

Composition: C (54.58%), H (5.50%), B (3.27%), F (17.27%), O (19.39%)

Molar Mass: 330.11

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	330.125024
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CVRQTSNFZDWYNW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.71
Topological Polar Surface Area	44.76
Polarizability	29.57
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1146214-86-9		$40.35-$170.24$40.35$68.09$170.24