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tert-butyl 2-(5-bromopyridin-2-yl)acetate

tert-butyl 2-(5-bromopyridin-2-yl)acetate

CAS: 1260888-07-0

Formula: C11H14BrNO2

SMILES: CC(C)(C)OC(=O)CC1=NC=C(Br)C=C1

IUPAC: tert-butyl 2-(5-bromopyridin-2-yl)acetate

InChI: InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)6-9-5-4-8(12)7-13-9/h4-5,7H,6H2,1-3H3

Composition: C (48.55%), H (5.19%), Br (29.36%), N (5.15%), O (11.76%)

Molar Mass: 272.142

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 271.020792
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LVPOCCCBTQXOCL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.03
Topological Polar Surface Area 39.19
Polarizability 24.08
Ring Count 1
Rotatable Bond Count 4

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