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829666-50-4 | Carbamic acid, diethyl-, 8-iodo-7-quinolinyl ester
CAS No: 829666-50-4 Catalog No: AG0053TU MDL No:
Product Description
Catalog Number:
AG0053TU
Chemical Name:
Carbamic acid, diethyl-, 8-iodo-7-quinolinyl ester
CAS Number:
829666-50-4
Molecular Formula:
C14H15IN2O2
Molecular Weight:
370.1856
IUPAC Name:
(8-iodoquinolin-7-yl) N,N-diethylcarbamate
InChI:
InChI=1S/C14H15IN2O2/c1-3-17(4-2)14(18)19-11-8-7-10-6-5-9-16-13(10)12(11)15/h5-9H,3-4H2,1-2H3
InChI Key:
IBKAJUWJNYLXFE-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Oc1ccc2c(c1I)nccc2)CC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.19g/mol
Monoisotopic Mass:
370.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Harnessing anionic rearrangements on the benzenoid ring of quinoline for the synthesis of 6,6'-disubstituted 7,7'-dihydroxy-8,8'-biquinolyls. | The Journal of organic chemistry 20050107 |
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