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tert-butyl N-[6-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate

tert-butyl N-[6-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate

CAS: 2379560-90-2

Formula: C16H24BBrN2O4

SMILES: CC(C)(C)OC(=O)NC1=CC(=CC(Br)=N1)B1OC(C)(C)C(C)(C)O1

IUPAC: tert-butyl N-[6-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate

InChI: InChI=1S/C16H24BBrN2O4/c1-14(2,3)22-13(21)20-12-9-10(8-11(18)19-12)17-23-15(4,5)16(6,7)24-17/h8-9H,1-7H3,(H,19,20,21)

Composition: C (48.15%), H (6.06%), B (2.71%), Br (20.02%), N (7.02%), O (16.04%)

Molar Mass: 399.09

Atom Count: 48

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 398.10125
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey YROKEIOHXXCJQD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 92.63
Topological Polar Surface Area 69.68
Polarizability 37.09
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2379560-90-2 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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