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Home > Imidazoles > 187235-59-2
187235-59-2 | (r)-6-benzyloxy-2-nitro-6,7-dihydro-5h-imidazo(2,1-b)(1,3)oxazine
CAS No: 187235-59-2 Catalog No: AG0074WE MDL No:
Product Description
Catalog Number:
AG0074WE
Chemical Name:
(r)-6-benzyloxy-2-nitro-6,7-dihydro-5h-imidazo(2,1-b)(1,3)oxazine
CAS Number:
187235-59-2
Molecular Formula:
C13H13N3O4
Molecular Weight:
275.2600
IUPAC Name:
(6R)-2-nitro-6-phenylmethoxy-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
InChI:
InChI=1S/C13H13N3O4/c17-16(18)12-7-15-6-11(9-20-13(15)14-12)19-8-10-4-2-1-3-5-10/h1-5,7,11H,6,8-9H2/t11-/m1/s1
InChI Key:
OELNBPAXKWBFGO-LLVKDONJSA-N
SMILES:
[O-][N+](=O)c1cn2c(n1)OC[C@@H](C2)OCc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.264g/mol
Monoisotopic Mass:
275.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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