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10559-39-4 | 5,8-Methano-1H-naphth[2,3-d]imidazole(8CI,9CI)
CAS No: 10559-39-4 Catalog No: AG007E78 MDL No:
Product Description
Catalog Number:
AG007E78
Chemical Name:
5,8-Methano-1H-naphth[2,3-d]imidazole(8CI,9CI)
CAS Number:
10559-39-4
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
IUPAC Name:
5,7-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-1,3,5,8,10,12-hexaene
InChI:
InChI=1S/C12H8N2/c1-2-8-3-7(1)9-4-11-12(5-10(8)9)14-6-13-11/h1-2,4-6H,3H2,(H,13,14)
InChI Key:
JBYBOTHKIAAKRE-UHFFFAOYSA-N
SMILES:
c1nc2c([nH]1)cc1c(c2)c2ccc1C2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.21g/mol
Monoisotopic Mass:
180.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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