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131238-06-7 | 4-Thiazolecarboxylic acid, 2-(4-azido-2,3,5,6-tetrafluorophenyl)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 131238-06-7 Catalog No: AG000VS8 MDL No:
Product Description
Catalog Number:
AG000VS8
Chemical Name:
4-Thiazolecarboxylic acid, 2-(4-azido-2,3,5,6-tetrafluorophenyl)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
131238-06-7
Molecular Formula:
C14H5F4N5O4S
Molecular Weight:
415.2792
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2-(4-azido-2,3,5,6-tetrafluorophenyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C14H5F4N5O4S/c15-8-7(9(16)11(18)12(10(8)17)21-22-19)13-20-4(3-28-13)14(26)27-23-5(24)1-2-6(23)25/h3H,1-2H2
InChI Key:
OEIRWCMNZGTFEM-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(F)c(F)c(c(c1F)F)c1scc(n1)C(=O)ON1C(=O)CCC1=O
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.279g/mol
Monoisotopic Mass:
415g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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