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89071-44-3 | Acetic acid, trifluoro-, 2,3,4,6-tetrachlorophenyl ester
CAS No: 89071-44-3 Catalog No: AG0040YF MDL No:
Product Description
Catalog Number:
AG0040YF
Chemical Name:
Acetic acid, trifluoro-, 2,3,4,6-tetrachlorophenyl ester
CAS Number:
89071-44-3
Molecular Formula:
C8HCl4F3O2
Molecular Weight:
327.8995
IUPAC Name:
(2,3,4,6-tetrachlorophenyl) 2,2,2-trifluoroacetate
InChI:
InChI=1S/C8HCl4F3O2/c9-2-1-3(10)6(5(12)4(2)11)17-7(16)8(13,14)15/h1H
InChI Key:
PBNONLCDAWIAGZ-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1OC(=O)C(F)(F)F)Cl)Cl
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.865g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.889g/mol
Monoisotopic Mass:
325.868g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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