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N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

CAS: 1628839-37-1

Formula: C20H22BF3N2O3

SMILES: CC1=CC=C(NC(=O)C2=CC=NC(=C2)C(F)(F)F)C=C1B1OC(C)(C)C(C)(C)O1

IUPAC: N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

InChI: InChI=1S/C20H22BF3N2O3/c1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24/h6-11H,1-5H3,(H,26,27)

Composition: C (59.14%), H (5.46%), B (2.66%), F (14.03%), N (6.90%), O (11.82%)

Molar Mass: 406.21

Atom Count: 51

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 406.167557
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CUYGWXGMUVMIAB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 99.73
Topological Polar Surface Area 60.45
Polarizability 38.53
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1628839-37-1 $227.70-$4,597.70$227.70$342.70$457.70$687.70$1,147.70$4,597.70
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