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Home > Fluorides > 119450-76-9
119450-76-9 | Butane, 1,1,3,3,4-pentafluoro-
CAS No: 119450-76-9 Catalog No: AG000ISI MDL No:
Product Description
Catalog Number:
AG000ISI
Chemical Name:
Butane, 1,1,3,3,4-pentafluoro-
CAS Number:
119450-76-9
Molecular Formula:
C4H5F5
Molecular Weight:
148.0745
IUPAC Name:
1,1,3,3,4-pentafluorobutane
InChI:
InChI=1S/C4H5F5/c5-2-4(8,9)1-3(6)7/h3H,1-2H2
InChI Key:
DEEBFTHNPFJLLH-UHFFFAOYSA-N
SMILES:
FCC(CC(F)F)(F)F
Properties
Complexity:
79
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.031g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.076g/mol
Monoisotopic Mass:
148.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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