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120277-95-4 | α-[(2-Nitro-1H-imidazole-1-yl)methyl]-8-azabicyclo[5.1.0]octane-8-ethanol
CAS No: 120277-95-4 Catalog No: AG0098SH MDL No:
Product Description
Catalog Number:
AG0098SH
Chemical Name:
α-[(2-Nitro-1H-imidazole-1-yl)methyl]-8-azabicyclo[5.1.0]octane-8-ethanol
CAS Number:
120277-95-4
IUPAC Name:
1-(8-azabicyclo[5.1.0]octan-8-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
InChI:
InChI=1S/C13H20N4O3/c18-10(8-15-7-6-14-13(15)17(19)20)9-16-11-4-2-1-3-5-12(11)16/h6-7,10-12,18H,1-5,8-9H2
InChI Key:
LZYQUYJOCLBJGY-UHFFFAOYSA-N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.328g/mol
Monoisotopic Mass:
280.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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