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tert-butyl N-(5-bromo-6-chloropyridin-3-yl)carbamate

tert-butyl N-(5-bromo-6-chloropyridin-3-yl)carbamate

CAS: 405939-59-5

Formula: C10H12BrClN2O2

SMILES: CC(C)(C)OC(=O)NC1=CN=C(Cl)C(Br)=C1

IUPAC: tert-butyl N-(5-bromo-6-chloropyridin-3-yl)carbamate

InChI: InChI=1S/C10H12BrClN2O2/c1-10(2,3)16-9(15)14-6-4-7(11)8(12)13-5-6/h4-5H,1-3H3,(H,14,15)

Composition: C (39.05%), H (3.93%), Br (25.98%), Cl (11.53%), N (9.11%), O (10.40%)

Molar Mass: 307.57

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 305.977068
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QRNAOYQNEWLLSK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.68
Topological Polar Surface Area 51.22
Polarizability 25.47
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 405939-59-5 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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