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115100-09-9 | 1H-Imidazo[4,5-f]isoquinoline (9CI)
CAS No: 115100-09-9 Catalog No: AG000FVZ MDL No:
Product Description
Catalog Number:
AG000FVZ
Chemical Name:
1H-Imidazo[4,5-f]isoquinoline (9CI)
CAS Number:
115100-09-9
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
IUPAC Name:
3H-imidazo[4,5-f]isoquinoline
InChI:
InChI=1S/C10H7N3/c1-2-9-10(13-6-12-9)8-3-4-11-5-7(1)8/h1-6H,(H,12,13)
InChI Key:
LEAQMVWZJWRQJY-UHFFFAOYSA-N
SMILES:
c1ncc2c(c1)c1[nH]cnc1cc2
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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