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189575-10-8 | Propanoic acid, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-, 2,4,6-tribromophenyl ester
CAS No: 189575-10-8 Catalog No: AG002DSA MDL No:
Product Description
Catalog Number:
AG002DSA
Chemical Name:
Propanoic acid, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-, 2,4,6-tribromophenyl ester
CAS Number:
189575-10-8
Molecular Formula:
C12H2Br3F11O3
Molecular Weight:
642.8369
IUPAC Name:
(2,4,6-tribromophenyl) 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
InChI:
InChI=1S/C12H2Br3F11O3/c13-3-1-4(14)6(5(15)2-3)28-7(27)8(16,10(19,20)21)29-12(25,26)9(17,18)11(22,23)24/h1-2H
InChI Key:
LNENJJYWXQQXHD-UHFFFAOYSA-N
SMILES:
O=C(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)Oc1c(Br)cc(cc1Br)Br
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
641.736g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
642.839g/mol
Monoisotopic Mass:
639.738g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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