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648897-00-1 | Quinoline, 7-iodo-5-(2-methoxyphenyl)-8-(1-methylethoxy)-
CAS No: 648897-00-1 Catalog No: AG006RUJ MDL No:
Product Description
Catalog Number:
AG006RUJ
Chemical Name:
Quinoline, 7-iodo-5-(2-methoxyphenyl)-8-(1-methylethoxy)-
CAS Number:
648897-00-1
Molecular Formula:
C19H18INO2
Molecular Weight:
419.2562
IUPAC Name:
7-iodo-5-(2-methoxyphenyl)-8-propan-2-yloxyquinoline
InChI:
InChI=1S/C19H18INO2/c1-12(2)23-19-16(20)11-15(14-8-6-10-21-18(14)19)13-7-4-5-9-17(13)22-3/h4-12H,1-3H3
InChI Key:
HYPFQRIZVUVKPE-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1cc(I)c(c2c1cccn2)OC(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.038g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.262g/mol
Monoisotopic Mass:
419.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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