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127692-19-7 | Imidazo[2,1-b]oxazole, 2,3-dihydro-2-[(1-methylethoxy)methyl]-6-nitro-
CAS No: 127692-19-7 Catalog No: AG000XAT MDL No:
Product Description
Catalog Number:
AG000XAT
Chemical Name:
Imidazo[2,1-b]oxazole, 2,3-dihydro-2-[(1-methylethoxy)methyl]-6-nitro-
CAS Number:
127692-19-7
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
IUPAC Name:
6-nitro-2-(propan-2-yloxymethyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
InChI:
InChI=1S/C9H13N3O4/c1-6(2)15-5-7-3-11-4-8(12(13)14)10-9(11)16-7/h4,6-7H,3,5H2,1-2H3
InChI Key:
XRBPBOLVLSOSGX-UHFFFAOYSA-N
SMILES:
CC(OCC1Oc2n(C1)cc(n2)[N+](=O)[O-])C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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