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Home > Fluorides > 119398-75-3
119398-75-3 | 1-Butanol, hexafluoro-
CAS No: 119398-75-3 Catalog No: AG000P72 MDL No:
Product Description
Catalog Number:
AG000P72
Chemical Name:
1-Butanol, hexafluoro-
CAS Number:
119398-75-3
Molecular Formula:
C4H4F6O
Molecular Weight:
182.0644
IUPAC Name:
1,1,2,2,3,3-hexafluorobutan-1-ol
InChI:
InChI=1S/C4H4F6O/c1-2(5,6)3(7,8)4(9,10)11/h11H,1H3
InChI Key:
YIHRGKXNJGKSOT-UHFFFAOYSA-N
SMILES:
FC(C(F)(F)O)(C(F)(F)C)F
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.065g/mol
Monoisotopic Mass:
182.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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