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Home > Imidazoles > 128710-75-8
128710-75-8 | 1H-[1,3,5]Triazepino[1,7-a]benzimidazole (9CI)
CAS No: 128710-75-8 Catalog No: AG000YBL MDL No:
Product Description
Catalog Number:
AG000YBL
Chemical Name:
1H-[1,3,5]Triazepino[1,7-a]benzimidazole (9CI)
CAS Number:
128710-75-8
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
IUPAC Name:
1H-[1,3,5]triazepino[1,7-a]benzimidazole
InChI:
InChI=1S/C10H8N4/c1-2-4-9-8(3-1)13-10-5-11-6-12-7-14(9)10/h1-6H,7H2
InChI Key:
VLKRASSUDNCJLP-UHFFFAOYSA-N
SMILES:
C1=NCn2c(C=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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.202g/mol
Monoisotopic Mass:
184.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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