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Home > Other Heterocycles > 1706453-70-4
1706453-70-4 | 3-(1H-1,2,3-triazol-1-yl)-8-azabicyclo[3.2.1]octane
CAS No: 1706453-70-4 Catalog No: AG01ATW2 MDL No:MFCD27937800
Product Description
Catalog Number:
AG01ATW2
Chemical Name:
3-(1H-1,2,3-triazol-1-yl)-8-azabicyclo[3.2.1]octane
CAS Number:
1706453-70-4
MDL Number:
MFCD27937800
IUPAC Name:
3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C9H14N4/c1-2-8-6-9(5-7(1)11-8)13-4-3-10-12-13/h3-4,7-9,11H,1-2,5-6H2
InChI Key:
ITKAFWORYUYJLA-UHFFFAOYSA-N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.239g/mol
Monoisotopic Mass:
178.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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