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120277-94-3 | α-[(2-Nitro-1H-imidazole-1-yl)methyl]-2-methyl-7-azabicyclo[4.1.0]heptane-7-ethanol
CAS No: 120277-94-3 Catalog No: AG0098SG MDL No:
Product Description
Catalog Number:
AG0098SG
Chemical Name:
α-[(2-Nitro-1H-imidazole-1-yl)methyl]-2-methyl-7-azabicyclo[4.1.0]heptane-7-ethanol
CAS Number:
120277-94-3
IUPAC Name:
1-(2-methyl-7-azabicyclo[4.1.0]heptan-7-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
InChI:
InChI=1S/C13H20N4O3/c1-9-3-2-4-11-12(9)16(11)8-10(18)7-15-6-5-14-13(15)17(19)20/h5-6,9-12,18H,2-4,7-8H2,1H3
InChI Key:
ONCXOYCOJOXWTN-UHFFFAOYSA-N
Properties
Complexity:
375
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:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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