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13973-15-4 | 4(5H)-Thiazolone, 2-amino-5-fluoro-5-(trifluoromethyl)-
CAS No: 13973-15-4 Catalog No: AG001BMV MDL No:
Product Description
Catalog Number:
AG001BMV
Chemical Name:
4(5H)-Thiazolone, 2-amino-5-fluoro-5-(trifluoromethyl)-
CAS Number:
13973-15-4
Molecular Formula:
C4H2F4N2OS
Molecular Weight:
202.1301
IUPAC Name:
2-amino-5-fluoro-5-(trifluoromethyl)-1,3-thiazol-4-one
InChI:
InChI=1S/C4H2F4N2OS/c5-3(4(6,7)8)1(11)10-2(9)12-3/h(H2,9,10,11)
InChI Key:
HZDNXMIRSSYJFL-UHFFFAOYSA-N
SMILES:
FC(C1(F)SC(=NC1=O)N)(F)F
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.127g/mol
Monoisotopic Mass:
201.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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