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2043-54-1 | Dodecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-12-iodo-
CAS No: 2043-54-1 Catalog No: AG0029EU MDL No:MFCD00039412
Product Description
Catalog Number:
AG0029EU
Chemical Name:
Dodecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-12-iodo-
CAS Number:
2043-54-1
Molecular Formula:
C12H4F21I
Molecular Weight:
674.0311
MDL Number:
MFCD00039412
IUPAC Name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecane
InChI:
InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
InChI Key:
HVWXRMINOYZYCK-UHFFFAOYSA-N
SMILES:
ICCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
EC Number:
218-054-0
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
673.902g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
674.035g/mol
Monoisotopic Mass:
673.902g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
Literature
| Title | Journal |
|---|---|
| Trace determination of airborne polyfluorinated iodine alkanes using multisorbent thermal desorption/gas chromatography/high resolution mass spectrometry. | Journal of chromatography. A 20100625 |
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