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100419-92-9 | Cyclohexane, 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodo-, trans- (9CI)
CAS No: 100419-92-9 Catalog No: AG0001Y0 MDL No:
Product Description
Catalog Number:
AG0001Y0
Chemical Name:
Cyclohexane, 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodo-, trans- (9CI)
CAS Number:
100419-92-9
Molecular Formula:
C10H10ClF8I
Molecular Weight:
444.5311
IUPAC Name:
1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclohexane
InChI:
InChI=1S/C10H10ClF8I/c11-10(18,19)9(16,17)8(14,15)7(12,13)5-3-1-2-4-6(5)20/h5-6H,1-4H2
InChI Key:
VXCJNJYMWXORDP-UHFFFAOYSA-N
SMILES:
I[C@@H]1CCCC[C@H]1C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.939g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.532g/mol
Monoisotopic Mass:
443.939g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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