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89588-62-5 | 1,2,3-Thiadiazole-4-carboxylic acid, 5-chloro-8-quinolinyl ester
CAS No: 89588-62-5 Catalog No: AG003Z3F MDL No:
Product Description
Catalog Number:
AG003Z3F
Chemical Name:
1,2,3-Thiadiazole-4-carboxylic acid, 5-chloro-8-quinolinyl ester
CAS Number:
89588-62-5
Molecular Formula:
C12H6ClN3O2S
Molecular Weight:
291.7129
IUPAC Name:
(5-chloroquinolin-8-yl) thiadiazole-4-carboxylate
InChI:
InChI=1S/C12H6ClN3O2S/c13-8-3-4-10(11-7(8)2-1-5-14-11)18-12(17)9-6-19-16-15-9/h1-6H
InChI Key:
RSRAZPQCFLTXBF-UHFFFAOYSA-N
SMILES:
O=C(c1csnn1)Oc1ccc(c2c1nccc2)Cl
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.987g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.709g/mol
Monoisotopic Mass:
290.987g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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