1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine

1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine

CAS: 1408088-34-5

Formula: C17H26BFN2O2

SMILES: CN1CCN(CC1)C1=C(F)C=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine

InChI: InChI=1S/C17H26BFN2O2/c1-16(2)17(3,4)23-18(22-16)13-6-7-15(14(19)12-13)21-10-8-20(5)9-11-21/h6-7,12H,8-11H2,1-5H3

Composition: C (63.77%), H (8.18%), B (3.38%), F (5.93%), N (8.75%), O (9.99%)

Molar Mass: 320.22

Atom Count: 49

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	320.207136
Formal Charge	0
FSP3	0.65
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RFECQDXNBWGCRR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.41
Topological Polar Surface Area	24.94
Polarizability	34.8
Ring Count	3
Rotatable Bond Count	2

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Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1408088-34-5		$193.37-$442.46$193.37$193.37$442.46$442.46