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Home > Quinoline > 191532-94-2
191532-94-2 | 1(2H)-Isoquinolinone, 2-ethyl-3-(4-methylphenyl)-
CAS No: 191532-94-2 Catalog No: AG002FAR MDL No:
Product Description
Catalog Number:
AG002FAR
Chemical Name:
1(2H)-Isoquinolinone, 2-ethyl-3-(4-methylphenyl)-
CAS Number:
191532-94-2
Molecular Formula:
C18H17NO
Molecular Weight:
263.3337
IUPAC Name:
2-ethyl-3-(4-methylphenyl)isoquinolin-1-one
InChI:
InChI=1S/C18H17NO/c1-3-19-17(14-10-8-13(2)9-11-14)12-15-6-4-5-7-16(15)18(19)20/h4-12H,3H2,1-2H3
InChI Key:
LOKIQFDWCKRRQI-UHFFFAOYSA-N
SMILES:
CCn1c(cc2c(c1=O)cccc2)c1ccc(cc1)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.34g/mol
Monoisotopic Mass:
263.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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