Home Other Building Blocks 1-(1H-1,3-benzodiazol-5-yl)ethan-1-one

1-(1H-1,3-benzodiazol-5-yl)ethan-1-one

CAS No.:
58442-16-3
Catalog Number:
AG01BHJG
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
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Product Description
Catalog Number:
AG01BHJG
Chemical Name:
1-(1H-1,3-benzodiazol-5-yl)ethan-1-one
CAS Number:
58442-16-3
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD09263854
IUPAC Name:
1-(3H-benzimidazol-5-yl)ethanone
InChI:
InChI=1S/C9H8N2O/c1-6(12)7-2-3-8-9(4-7)11-5-10-8/h2-5H,1H3,(H,10,11)
InChI Key:
PLHBJRPIYKTQOU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)nc[nH]2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties