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Home > Bromides > 1026036-57-6
1026036-57-6 | 3,9-Diazaspiro[5.5]undecane, 3-(6-bromo-2-pyridinyl)-
CAS No: 1026036-57-6 Catalog No: AG0007VJ MDL No:
Product Description
Catalog Number:
AG0007VJ
Chemical Name:
3,9-Diazaspiro[5.5]undecane, 3-(6-bromo-2-pyridinyl)-
CAS Number:
1026036-57-6
Molecular Formula:
C14H20BrN3
Molecular Weight:
310.2327
IUPAC Name:
3-(3-bromopyridin-2-yl)-3,9-diazaspiro[5.5]undecane
InChI:
InChI=1S/C14H20BrN3/c15-12-2-1-7-17-13(12)18-10-5-14(6-11-18)3-8-16-9-4-14/h1-2,7,16H,3-6,8-11H2
InChI Key:
WQARLFPHUXGADF-UHFFFAOYSA-N
SMILES:
Brc1cccc(n1)N1CCC2(CC1)CCNCC2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.239g/mol
Monoisotopic Mass:
309.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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