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301676-88-0 | 2H-Imidazo[2,1-b]-1,3,5-oxadiazine(9CI)
CAS No: 301676-88-0 Catalog No: AG007JAX MDL No:
Product Description
Catalog Number:
AG007JAX
Chemical Name:
2H-Imidazo[2,1-b]-1,3,5-oxadiazine(9CI)
CAS Number:
301676-88-0
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
IUPAC Name:
2H-imidazo[2,1-b][1,3,5]oxadiazine
InChI:
InChI=1S/C5H5N3O/c1-2-8-3-6-4-9-5(8)7-1/h1-3H,4H2
InChI Key:
ZCXQIACHZYDAFY-UHFFFAOYSA-N
SMILES:
C1N=Cn2c(O1)ncc2
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.115g/mol
Monoisotopic Mass:
123.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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