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Home > Imidazoles > 10454-04-3
10454-04-3 | 5,8-Ethano-1H-naphth[2,3-d]imidazole(8CI,9CI)
CAS No: 10454-04-3 Catalog No: AG007XSX MDL No:
Product Description
Catalog Number:
AG007XSX
Chemical Name:
5,8-Ethano-1H-naphth[2,3-d]imidazole(8CI,9CI)
CAS Number:
10454-04-3
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-1,3,5,8,10,12-hexaene
InChI:
InChI=1S/C13H10N2/c1-2-9-4-3-8(1)10-5-12-13(6-11(9)10)15-7-14-12/h1-2,5-7H,3-4H2,(H,14,15)
InChI Key:
QGEQAHURZHTEOF-UHFFFAOYSA-N
SMILES:
c1nc2c([nH]1)cc1c(c2)c2CCc1cc2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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