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tert-butyl 4-(bromomethyl)piperidine-1-carboxylate

tert-butyl 4-(bromomethyl)piperidine-1-carboxylate

CAS: 158407-04-6

Formula: C11H20BrNO2

SMILES: CC(C)(C)OC(=O)N1CCC(CBr)CC1

IUPAC: tert-butyl 4-(bromomethyl)piperidine-1-carboxylate

InChI: InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3

Composition: C (47.49%), H (7.25%), Br (28.72%), N (5.04%), O (11.50%)

Molar Mass: 278.19

Atom Count: 35

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 277.067742
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YGJXBTRLYHCWGD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.27
Topological Polar Surface Area 29.54
Polarizability 24.92
Ring Count 1
Rotatable Bond Count 3

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