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Home > Imidazoles > 91822-69-4
91822-69-4 | 2-ethyl-1h-naphtho[2,3-d]imidazole-4,9-dione
CAS No: 91822-69-4 Catalog No: AG0068VF MDL No:
Product Description
Catalog Number:
AG0068VF
Chemical Name:
2-ethyl-1h-naphtho[2,3-d]imidazole-4,9-dione
CAS Number:
91822-69-4
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
2-ethyl-1H-benzo[f]benzimidazole-4,9-dione
InChI:
InChI=1S/C13H10N2O2/c1-2-9-14-10-11(15-9)13(17)8-6-4-3-5-7(8)12(10)16/h3-6H,2H2,1H3,(H,14,15)
InChI Key:
BDRALAFPLKRVJQ-UHFFFAOYSA-N
SMILES:
CCc1nc2c([nH]1)C(=O)c1c(C2=O)cccc1
NSC Number:
14772
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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