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93201-91-3 | 1H-Imidazo[4,5-f]quinoline, 2-(4-methylphenyl)-
CAS No: 93201-91-3 Catalog No: AG006I15 MDL No:
Product Description
Catalog Number:
AG006I15
Chemical Name:
1H-Imidazo[4,5-f]quinoline, 2-(4-methylphenyl)-
CAS Number:
93201-91-3
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
2-(4-methylphenyl)-3H-imidazo[4,5-f]quinoline
InChI:
InChI=1S/C17H13N3/c1-11-4-6-12(7-5-11)17-19-15-9-8-14-13(16(15)20-17)3-2-10-18-14/h2-10H,1H3,(H,19,20)
InChI Key:
KJHFKWWEUUUPKG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2c([nH]1)c1cccnc1cc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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