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127692-20-0 | Imidazo[2,1-b]oxazole, 2,3-dihydro-6-nitro-2-[(2-propen-1-yloxy)methyl]-
CAS No: 127692-20-0 Catalog No: AG000XAS MDL No:
Product Description
Catalog Number:
AG000XAS
Chemical Name:
Imidazo[2,1-b]oxazole, 2,3-dihydro-6-nitro-2-[(2-propen-1-yloxy)methyl]-
CAS Number:
127692-20-0
Molecular Formula:
C9H11N3O4
Molecular Weight:
225.2013
IUPAC Name:
6-nitro-2-(prop-2-enoxymethyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
InChI:
InChI=1S/C9H11N3O4/c1-2-3-15-6-7-4-11-5-8(12(13)14)10-9(11)16-7/h2,5,7H,1,3-4,6H2
InChI Key:
JDIQKEYNOXNIMJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn2c(n1)OC(C2)COCC=C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.204g/mol
Monoisotopic Mass:
225.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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