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14993-06-7 | 1H-[1,2,3]Triazolo[1,5-a]benzimidazole (9CI)
CAS No: 14993-06-7 Catalog No: AG001M5K MDL No:
Product Description
Catalog Number:
AG001M5K
Chemical Name:
1H-[1,2,3]Triazolo[1,5-a]benzimidazole (9CI)
CAS Number:
14993-06-7
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
IUPAC Name:
1H-triazolo[1,5-a]benzimidazole
InChI:
InChI=1S/C8H6N4/c1-2-4-7-6(3-1)10-8-5-9-11-12(7)8/h1-5,11H
InChI Key:
ZWAUDEMFTAOOOJ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1[nH]ncc1n2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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