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Home > Fluorides > 115895-32-4
115895-32-4 | Carbonic acid, 2-ethylhexyl pentafluorophenyl ester (9CI)
CAS No: 115895-32-4 Catalog No: AG000H2A MDL No:
Product Description
Catalog Number:
AG000H2A
Chemical Name:
Carbonic acid, 2-ethylhexyl pentafluorophenyl ester (9CI)
CAS Number:
115895-32-4
Molecular Formula:
C15H17F5O3
Molecular Weight:
340.2857
IUPAC Name:
2-ethylhexyl (2,3,4,5,6-pentafluorophenyl) carbonate
InChI:
InChI=1S/C15H17F5O3/c1-3-5-6-8(4-2)7-22-15(21)23-14-12(19)10(17)9(16)11(18)13(14)20/h8H,3-7H2,1-2H3
InChI Key:
BKMFLNYNJKZCBQ-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)Oc1c(F)c(F)c(c(c1F)F)F)CC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.29g/mol
Monoisotopic Mass:
340.11g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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