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83249-89-2 | 1H-[1,2,4]TRIAZEPINO[4,3-A]BENZO[D]IMIDAZOLE
CAS No: 83249-89-2 Catalog No: AG0057HU MDL No:
Product Description
Catalog Number:
AG0057HU
Chemical Name:
1H-[1,2,4]TRIAZEPINO[4,3-A]BENZO[D]IMIDAZOLE
CAS Number:
83249-89-2
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
IUPAC Name:
1H-[1,2,4]triazepino[4,3-a]benzimidazole
InChI:
InChI=1S/C10H8N4/c1-2-5-9-8(4-1)12-10-13-11-6-3-7-14(9)10/h1-7H,(H,12,13)
InChI Key:
CCSGNFDEHBQBEB-UHFFFAOYSA-N
SMILES:
c1ccn2c([nH]n1)nc1c2cccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.202g/mol
Monoisotopic Mass:
184.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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