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Home > Imidazoles > 28891-18-1
28891-18-1 | 1H,3H-[1,3,6]Oxadiazepino[3,4-a]benzimidazole (8CI,9CI)
CAS No: 28891-18-1 Catalog No: AG002WZ3 MDL No:
Product Description
Catalog Number:
AG002WZ3
Chemical Name:
1H,3H-[1,3,6]Oxadiazepino[3,4-a]benzimidazole (8CI,9CI)
CAS Number:
28891-18-1
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
1,3-dihydro-[1,3,6]oxadiazepino[3,4-a]benzimidazole
InChI:
InChI=1S/C10H9N3O/c1-2-4-9-8(3-1)12-10-5-11-6-14-7-13(9)10/h1-5H,6-7H2
InChI Key:
GABXUTXRDLHFCP-UHFFFAOYSA-N
SMILES:
C1N=Cc2n(CO1)c1c(n2)cccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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