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131294-62-7

131294-62-7 | Cyclohexane, 1-iodo-2-(nonafluorobutyl)-, cis- (9CI)

CAS No: 131294-62-7 Catalog No: AG000VVR MDL No:

Product Description

Catalog Number:
AG000VVR
Chemical Name:
Cyclohexane, 1-iodo-2-(nonafluorobutyl)-, cis- (9CI)
CAS Number:
131294-62-7
Molecular Formula:
C10H10F9I
Molecular Weight:
428.0765
IUPAC Name:
1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane
InChI:
InChI=1S/C10H10F9I/c11-7(12,5-3-1-2-4-6(5)20)8(13,14)9(15,16)10(17,18)19/h5-6H,1-4H2
InChI Key:
XIKJMWSSMDZHBC-UHFFFAOYSA-N
SMILES:
I[C@@H]1CCCC[C@@H]1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Properties

Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.968g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.08g/mol
Monoisotopic Mass:
427.968g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  

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