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115126-35-7 | 1H-Pyrrolo[2,3-b]quinoline, 1-(4-methylphenyl)-
CAS No: 115126-35-7 Catalog No: AG000GBD MDL No:
Product Description
Catalog Number:
AG000GBD
Chemical Name:
1H-Pyrrolo[2,3-b]quinoline, 1-(4-methylphenyl)-
CAS Number:
115126-35-7
Molecular Formula:
C18H14N2
Molecular Weight:
258.3172
IUPAC Name:
1-(4-methylphenyl)pyrrolo[2,3-b]quinoline
InChI:
InChI=1S/C18H14N2/c1-13-6-8-16(9-7-13)20-11-10-15-12-14-4-2-3-5-17(14)19-18(15)20/h2-12H,1H3
InChI Key:
OHQQQXLAZGNBHW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1ccc2c1nc1ccccc1c2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.324g/mol
Monoisotopic Mass:
258.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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