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879324-28-4 | 4(5H)-Thiazolone, 2-[[(2-chloro-4-fluorophenyl)methyl]amino]-
CAS No: 879324-28-4 Catalog No: AG004DNO MDL No:
Product Description
Catalog Number:
AG004DNO
Chemical Name:
4(5H)-Thiazolone, 2-[[(2-chloro-4-fluorophenyl)methyl]amino]-
CAS Number:
879324-28-4
Molecular Formula:
C10H8ClFN2OS
Molecular Weight:
258.6997
IUPAC Name:
2-[(2-chloro-4-fluorophenyl)methylimino]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H8ClFN2OS/c11-8-3-7(12)2-1-6(8)4-13-10-14-9(15)5-16-10/h1-3H,4-5H2,(H,13,14,15)
InChI Key:
AYTVUSKZTIGAGI-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)CNC1=NC(=O)CS1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.695g/mol
Monoisotopic Mass:
258.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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