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836684-99-2 | Quinoline, 2-(3-benzofuranyl)-4-methyl-
CAS No: 836684-99-2 Catalog No: AG0056GQ MDL No:
Product Description
Catalog Number:
AG0056GQ
Chemical Name:
Quinoline, 2-(3-benzofuranyl)-4-methyl-
CAS Number:
836684-99-2
Molecular Formula:
C18H13NO
Molecular Weight:
259.3019
IUPAC Name:
2-(1-benzofuran-3-yl)-4-methylquinoline
InChI:
InChI=1S/C18H13NO/c1-12-10-17(19-16-8-4-2-6-13(12)16)15-11-20-18-9-5-3-7-14(15)18/h2-11H,1H3
InChI Key:
YDSJQPYIAPJTHU-UHFFFAOYSA-N
SMILES:
Cc1cc(nc2c1cccc2)c1coc2c1cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.308g/mol
Monoisotopic Mass:
259.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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