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338753-41-6 | 5-[(4-chloroanilino)methylene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolan-1-ium-1-olate
CAS No: 338753-41-6 Catalog No: AG01FOME MDL No:
Product Description
Catalog Number:
AG01FOME
Chemical Name:
5-[(4-chloroanilino)methylene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolan-1-ium-1-olate
CAS Number:
338753-41-6
IUPAC Name:
5-[(4-chloroanilino)methylidene]-3-(4-methylphenyl)-1-oxo-1,3-thiazolidin-4-one
InChI:
InChI=1S/C17H15ClN2O2S/c1-12-2-8-15(9-3-12)20-11-23(22)16(17(20)21)10-19-14-6-4-13(18)5-7-14/h2-10,19H,11H2,1H3
InChI Key:
ZZJBGMZUTMOOLH-UHFFFAOYSA-N
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.829g/mol
Monoisotopic Mass:
346.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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