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89071-43-2 | Butanoic acid, heptafluoro-, 2,3,4,6-tetrachlorophenyl ester
CAS No: 89071-43-2 Catalog No: AG0040OO MDL No:
Product Description
Catalog Number:
AG0040OO
Chemical Name:
Butanoic acid, heptafluoro-, 2,3,4,6-tetrachlorophenyl ester
CAS Number:
89071-43-2
Molecular Formula:
C10HCl4F7O2
Molecular Weight:
427.9146
IUPAC Name:
(2,3,4,6-tetrachlorophenyl) 2,2,3,3,4,4,4-heptafluorobutanoate
InChI:
InChI=1S/C10HCl4F7O2/c11-2-1-3(12)6(5(14)4(2)13)23-7(22)8(15,16)9(17,18)10(19,20)21/h1H
InChI Key:
ZLZPKXXMZVDAEU-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl)Cl
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.859g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.905g/mol
Monoisotopic Mass:
425.862g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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