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Home > Fluorides > 121628-30-6
121628-30-6 | 1,2-Pentanediol, 3,3,4,5,5,5-hexafluoro-
CAS No: 121628-30-6 Catalog No: AG0015FT MDL No:
Product Description
Catalog Number:
AG0015FT
Chemical Name:
1,2-Pentanediol, 3,3,4,5,5,5-hexafluoro-
CAS Number:
121628-30-6
Molecular Formula:
C5H6F6O2
Molecular Weight:
212.0904
IUPAC Name:
3,3,4,5,5,5-hexafluoropentane-1,2-diol
InChI:
InChI=1S/C5H6F6O2/c6-3(5(9,10)11)4(7,8)2(13)1-12/h2-3,12-13H,1H2
InChI Key:
XSWCRNDMNHPRNW-UHFFFAOYSA-N
SMILES:
OCC(C(C(C(F)(F)F)F)(F)F)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.091g/mol
Monoisotopic Mass:
212.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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