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Home > Imidazoles > 187235-14-9
187235-14-9 | (6r)-2-nitro-6-(octyloxy)-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazine
CAS No: 187235-14-9 Catalog No: AG0074WM MDL No:
Product Description
Catalog Number:
AG0074WM
Chemical Name:
(6r)-2-nitro-6-(octyloxy)-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazine
CAS Number:
187235-14-9
Molecular Formula:
C14H23N3O4
Molecular Weight:
297.3501
IUPAC Name:
(6R)-2-nitro-6-octoxy-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
InChI:
InChI=1S/C14H23N3O4/c1-2-3-4-5-6-7-8-20-12-9-16-10-13(17(18)19)15-14(16)21-11-12/h10,12H,2-9,11H2,1H3/t12-/m1/s1
InChI Key:
JYFIPBONAFMXAW-GFCCVEGCSA-N
SMILES:
CCCCCCCCO[C@H]1COc2n(C1)cc(n2)[N+](=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.355g/mol
Monoisotopic Mass:
297.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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