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849430-68-8 | 1,4-Diazabicyclo[3.2.2]nonane, 4-[(6-bromo-2-pyridinyl)methyl]-
CAS No: 849430-68-8 Catalog No: AG004V6E MDL No:
Product Description
Catalog Number:
AG004V6E
Chemical Name:
1,4-Diazabicyclo[3.2.2]nonane, 4-[(6-bromo-2-pyridinyl)methyl]-
CAS Number:
849430-68-8
Molecular Formula:
C13H18BrN3
Molecular Weight:
296.2061
IUPAC Name:
4-[(6-bromopyridin-2-yl)methyl]-1,4-diazabicyclo[3.2.2]nonane
InChI:
InChI=1S/C13H18BrN3/c14-13-3-1-2-11(15-13)10-17-9-8-16-6-4-12(17)5-7-16/h1-3,12H,4-10H2
InChI Key:
XYDWNLYPKBUXEC-UHFFFAOYSA-N
SMILES:
Brc1cccc(n1)CN1CCN2CCC1CC2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.212g/mol
Monoisotopic Mass:
295.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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