Ethanone, 1-(1H-benzimidazol-2-yl)-


Chemical Name: Ethanone, 1-(1H-benzimidazol-2-yl)-
CAS Number: 939-70-8
Product Number: AG003GBC(AGN-PC-0JL9M8)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O
Molecular Weight: 160.1726

Identification/Properties


Properties
MP:
180-181℃(Solv: water (7732-18-5))
BP:
347.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
160.176g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
160.064g/mol
Monoisotopic Mass:
160.064g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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