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Home > Fluorides > 139780-45-3
139780-45-3 | 5-Hexen-1-ol, 4,4,5,6,6-pentafluoro-2-iodo-
CAS No: 139780-45-3 Catalog No: AG001BP0 MDL No:
Product Description
Catalog Number:
AG001BP0
Chemical Name:
5-Hexen-1-ol, 4,4,5,6,6-pentafluoro-2-iodo-
CAS Number:
139780-45-3
Molecular Formula:
C6H6F5IO
Molecular Weight:
316.0077
IUPAC Name:
4,4,5,6,6-pentafluoro-2-iodohex-5-en-1-ol
InChI:
InChI=1S/C6H6F5IO/c7-4(5(8)9)6(10,11)1-3(12)2-13/h3,13H,1-2H2
InChI Key:
XFWGRXWPEAUFJN-UHFFFAOYSA-N
SMILES:
OCC(CC(C(=C(F)F)F)(F)F)I
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.938g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.009g/mol
Monoisotopic Mass:
315.938g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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