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Home > Imidazoles > 96101-21-2
96101-21-2 | [1,2,4]Triazino[4,5-a]benzimidazol-1(2H)-one
CAS No: 96101-21-2 Catalog No: AG0068YB MDL No:MFCD28962519
Product Description
Catalog Number:
AG0068YB
Chemical Name:
[1,2,4]Triazino[4,5-a]benzimidazol-1(2H)-one
CAS Number:
96101-21-2
Molecular Formula:
C9H6N4O
Molecular Weight:
186.1701
MDL Number:
MFCD28962519
IUPAC Name:
2H-[1,2,4]triazino[4,5-a]benzimidazol-1-one
InChI:
InChI=1S/C9H6N4O/c14-9-12-10-5-8-11-6-3-1-2-4-7(6)13(8)9/h1-5H,(H,12,14)
InChI Key:
RNZGMTIWSOQPSO-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc2n1c1ccccc1n2
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:
1
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