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89588-77-2 | 1,2,3-Thiadiazole-4-carboxylic acid, 5-chloro-7-iodo-8-quinolinyl ester
CAS No: 89588-77-2 Catalog No: AG003Z3B MDL No:
Product Description
Catalog Number:
AG003Z3B
Chemical Name:
1,2,3-Thiadiazole-4-carboxylic acid, 5-chloro-7-iodo-8-quinolinyl ester
CAS Number:
89588-77-2
Molecular Formula:
C12H5ClIN3O2S
Molecular Weight:
417.6095
IUPAC Name:
(5-chloro-7-iodoquinolin-8-yl) thiadiazole-4-carboxylate
InChI:
InChI=1S/C12H5ClIN3O2S/c13-7-4-8(14)11(10-6(7)2-1-3-15-10)19-12(18)9-5-20-17-16-9/h1-5H
InChI Key:
AFYHMSQHBRIAHH-UHFFFAOYSA-N
SMILES:
Ic1cc(Cl)c2c(c1OC(=O)c1csnn1)nccc2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.884g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.605g/mol
Monoisotopic Mass:
416.884g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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