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648897-01-2 | Quinoline, 7-iodo-8-(1-methylethoxy)-5-(2-methylphenyl)-
CAS No: 648897-01-2 Catalog No: AG006RUI MDL No:
Product Description
Catalog Number:
AG006RUI
Chemical Name:
Quinoline, 7-iodo-8-(1-methylethoxy)-5-(2-methylphenyl)-
CAS Number:
648897-01-2
Molecular Formula:
C19H18INO
Molecular Weight:
403.2568
IUPAC Name:
7-iodo-5-(2-methylphenyl)-8-propan-2-yloxyquinoline
InChI:
InChI=1S/C19H18INO/c1-12(2)22-19-17(20)11-16(14-8-5-4-7-13(14)3)15-9-6-10-21-18(15)19/h4-12H,1-3H3
InChI Key:
YTCZSNMPLJQCPN-UHFFFAOYSA-N
SMILES:
CC(Oc1c(I)cc(c2c1nccc2)c1ccccc1C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.043g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.263g/mol
Monoisotopic Mass:
403.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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