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Home > Imidazoles > 66120-86-3
66120-86-3 | 4,7-ETHANO-1H-BENZO[D]IMIDAZOLE
CAS No: 66120-86-3 Catalog No: AG006JPF MDL No:
Product Description
Catalog Number:
AG006JPF
Chemical Name:
4,7-ETHANO-1H-BENZO[D]IMIDAZOLE
CAS Number:
66120-86-3
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
IUPAC Name:
3,5-diazatricyclo[5.2.2.02,6]undeca-1,3,6,8-tetraene
InChI:
InChI=1S/C9H8N2/c1-2-7-4-3-6(1)8-9(7)11-5-10-8/h1-2,5H,3-4H2,(H,10,11)
InChI Key:
XFLWHHVNIRWQTE-UHFFFAOYSA-N
SMILES:
c1nc2c([nH]1)c1CCc2cc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.177g/mol
Monoisotopic Mass:
144.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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