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63681-27-6 | 1H,5H-[1,4,5]Oxadiazepino[4,3-a]benzimidazole(9CI)
CAS No: 63681-27-6 Catalog No: AG00EX2U MDL No:
Product Description
Catalog Number:
AG00EX2U
Chemical Name:
1H,5H-[1,4,5]Oxadiazepino[4,3-a]benzimidazole(9CI)
CAS Number:
63681-27-6
IUPAC Name:
1,5-dihydro-[1,4,5]oxadiazepino[4,3-a]benzimidazole
InChI:
InChI=1S/C10H9N3O/c1-2-4-9-8(3-1)12-10-7-14-6-5-11-13(9)10/h1-6,11H,7H2
InChI Key:
VQLFOFHYVLTOTE-UHFFFAOYSA-N
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:
1
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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