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7589-44-8 | trans-1-Iodo-2-(perfluoropropyl);cyclohexane
CAS No: 7589-44-8 Catalog No: AG005HCW MDL No:MFCD01862015
Product Description
Catalog Number:
AG005HCW
Chemical Name:
trans-1-Iodo-2-(perfluoropropyl);cyclohexane
CAS Number:
7589-44-8
Molecular Formula:
C9H10F7I
Molecular Weight:
378.0690
MDL Number:
MFCD01862015
IUPAC Name:
(1S,2R)-1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane
InChI:
InChI=1S/C9H10F7I/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2/t5-,6-/m1/s1
InChI Key:
OPDPCHBOZHWKOZ-PHDIDXHHSA-N
SMILES:
I[C@@H]1CCCC[C@H]1C(C(C(F)(F)F)(F)F)(F)F
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
377.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.072g/mol
Monoisotopic Mass:
377.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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