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Home > Imidazoles > 117801-43-1
117801-43-1 | 1H-Imidazo[4,5-g]isoquinoline(9CI)
CAS No: 117801-43-1 Catalog No: AG0081F9 MDL No:MFCD18808185
Product Description
Catalog Number:
AG0081F9
Chemical Name:
1H-Imidazo[4,5-g]isoquinoline(9CI)
CAS Number:
117801-43-1
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD18808185
IUPAC Name:
3H-imidazo[4,5-g]isoquinoline
InChI:
InChI=1S/C10H7N3/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10/h1-6H,(H,12,13)
InChI Key:
ZVDZMOHQTAKBKE-UHFFFAOYSA-N
SMILES:
n1ccc2c(c1)cc1c(c2)[nH]cn1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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