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433728-49-5 | Imidazo[4,5,1-jk][1,3,4]benzotriazepin-7(6H)-one (9CI)
CAS No: 433728-49-5 Catalog No: AG00DYVS MDL No:
Product Description
Catalog Number:
AG00DYVS
Chemical Name:
Imidazo[4,5,1-jk][1,3,4]benzotriazepin-7(6H)-one (9CI)
CAS Number:
433728-49-5
IUPAC Name:
1,3,10,11-tetrazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13),11-pentaen-9-one
InChI:
InChI=1S/C9H6N4O/c14-9-6-2-1-3-7-8(6)13(4-10-7)5-11-12-9/h1-5H,(H,12,14)
InChI Key:
UBTLQASMWRANJH-UHFFFAOYSA-N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.174g/mol
Monoisotopic Mass:
186.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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