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tert-butyl N-[(4-bromopyridin-2-yl)methyl]carbamate

tert-butyl N-[(4-bromopyridin-2-yl)methyl]carbamate

CAS: 1060813-12-8

Formula: C11H15BrN2O2

SMILES: CC(C)(C)OC(=O)NCC1=NC=CC(Br)=C1

IUPAC: tert-butyl N-[(4-bromopyridin-2-yl)methyl]carbamate

InChI: InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-7-9-6-8(12)4-5-13-9/h4-6H,7H2,1-3H3,(H,14,15)

Composition: C (46.01%), H (5.27%), Br (27.83%), N (9.76%), O (11.14%)

Molar Mass: 287.157

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 286.031691
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DIMMBUVDRRUSNY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.35
Topological Polar Surface Area 51.22
Polarizability 25.24
Ring Count 1
Rotatable Bond Count 4

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