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15989-99-8 | Benzoic acid, 2,3,4,5,6-pentafluoro-, 1,1'-anhydride
CAS No: 15989-99-8 Catalog No: AG001RHU MDL No:
Product Description
Catalog Number:
AG001RHU
Chemical Name:
Benzoic acid, 2,3,4,5,6-pentafluoro-, 1,1'-anhydride
CAS Number:
15989-99-8
Molecular Formula:
C14F10O3
Molecular Weight:
406.1320
IUPAC Name:
(2,3,4,5,6-pentafluorobenzoyl) 2,3,4,5,6-pentafluorobenzoate
InChI:
InChI=1S/C14F10O3/c15-3-1(4(16)8(20)11(23)7(3)19)13(25)27-14(26)2-5(17)9(21)12(24)10(22)6(2)18
InChI Key:
BGCIWPHADHBSOS-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)c(F)c(c(c1F)F)F)OC(=O)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.969g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.135g/mol
Monoisotopic Mass:
405.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| 1,10-Phenanthrolinium 2,3,4,5,6-penta-fluoro-benzoate-2,3,4,5,6-penta-fluoro-benzoic acid (1/2). | Acta crystallographica. Section E, Structure reports online 20091001 |
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