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Home > Fluorides > 847755-25-3
847755-25-3 | 1-Butanol, 2,2,3,4,4,4-hexafluoro-, carbonate (2:1)
CAS No: 847755-25-3 Catalog No: AG004XT9 MDL No:
Product Description
Catalog Number:
AG004XT9
Chemical Name:
1-Butanol, 2,2,3,4,4,4-hexafluoro-, carbonate (2:1)
CAS Number:
847755-25-3
Molecular Formula:
C9H10F12O5
Molecular Weight:
426.1535
IUPAC Name:
carbonic acid;2,2,3,4,4,4-hexafluorobutan-1-ol
InChI:
InChI=1S/2C4H4F6O.CH2O3/c2*5-2(4(8,9)10)3(6,7)1-11;2-1(3)4/h2*2,11H,1H2;(H2,2,3,4)
InChI Key:
XPVRABKOZUVRGX-UHFFFAOYSA-N
SMILES:
OC(=O)O.OCC(C(C(F)(F)F)F)(F)F.OCC(C(C(F)(F)F)F)(F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.034g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
426.155g/mol
Monoisotopic Mass:
426.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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