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120277-97-6 | α-[(2-Nitro-1H-imidazole-1-yl)methyl]-3-oxa-7-azabicyclo[4.1.0]heptane-7-ethanol
CAS No: 120277-97-6 Catalog No: AG0098SI MDL No:
Product Description
Catalog Number:
AG0098SI
Chemical Name:
α-[(2-Nitro-1H-imidazole-1-yl)methyl]-3-oxa-7-azabicyclo[4.1.0]heptane-7-ethanol
CAS Number:
120277-97-6
IUPAC Name:
1-(2-nitroimidazol-1-yl)-3-(3-oxa-7-azabicyclo[4.1.0]heptan-7-yl)propan-2-ol
InChI:
InChI=1S/C11H16N4O4/c16-8(5-13-3-2-12-11(13)15(17)18)6-14-9-1-4-19-7-10(9)14/h2-3,8-10,16H,1,4-7H2
InChI Key:
DPMZLIVDHOHRLO-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:
268.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.273g/mol
Monoisotopic Mass:
268.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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