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

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

CAS: 955978-84-4

Formula: C15H17BF3NO2

SMILES: CC1(C)OB(OC1(C)C)C1=C2C=C(NC2=CC=C1)C(F)(F)F

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

InChI: InChI=1S/C15H17BF3NO2/c1-13(2)14(3,4)22-16(21-13)10-6-5-7-11-9(10)8-12(20-11)15(17,18)19/h5-8,20H,1-4H3

Composition: C (57.91%), H (5.51%), B (3.47%), F (18.32%), N (4.50%), O (10.29%)

Molar Mass: 311.11

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	311.130443
Formal Charge	0
FSP3	0.47
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XSXGMGRIKHCVRJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.65
Topological Polar Surface Area	34.25
Polarizability	30.18
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	955978-84-4		$138.71-$277.42$138.71$277.42