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2-(5-bromopyridin-2-yl)-N-tert-butylacetamide

2-(5-bromopyridin-2-yl)-N-tert-butylacetamide

CAS: 1159000-89-1

Formula: C11H15BrN2O

SMILES: CC(C)(C)NC(=O)CC1=CC=C(Br)C=N1

IUPAC: 2-(5-bromopyridin-2-yl)-N-tert-butylacetamide

InChI: InChI=1S/C11H15BrN2O/c1-11(2,3)14-10(15)6-9-5-4-8(12)7-13-9/h4-5,7H,6H2,1-3H3,(H,14,15)

Composition: C (48.72%), H (5.58%), Br (29.47%), N (10.33%), O (5.90%)

Molar Mass: 271.158

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.036776
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QHCBRCRSMMSJCV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.98
Topological Polar Surface Area 41.99
Polarizability 24.49
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1159000-89-1 $409.40-$1,061.45$409.40$1,061.45
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