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bis[(6-bromopyridin-2-yl)methyl]amine

bis[(6-bromopyridin-2-yl)methyl]amine

CAS: 1265139-77-2

Formula: C12H11Br2N3

SMILES: BrC1=CC=CC(CNCC2=CC=CC(Br)=N2)=N1

IUPAC: bis[(6-bromopyridin-2-yl)methyl]amine

InChI: InChI=1S/C12H11Br2N3/c13-11-5-1-3-9(16-11)7-15-8-10-4-2-6-12(14)17-10/h1-6,15H,7-8H2

Composition: C (40.37%), H (3.11%), Br (44.76%), N (11.77%)

Molar Mass: 357.049

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 354.931973
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VMRYVVHVKUZHHY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.49
Topological Polar Surface Area 37.81
Polarizability 29.1
Ring Count 2
Rotatable Bond Count 4

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