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100634-66-0 | Peroxide, bis(4-chloro-2,2,3,3,4,4-hexafluoro-1-oxobutyl) (9CI)
CAS No: 100634-66-0 Catalog No: AG0002JN MDL No:
Product Description
Catalog Number:
AG0002JN
Chemical Name:
Peroxide, bis(4-chloro-2,2,3,3,4,4-hexafluoro-1-oxobutyl) (9CI)
CAS Number:
100634-66-0
Molecular Formula:
C8Cl2F12O4
Molecular Weight:
458.9700
IUPAC Name:
(4-chloro-2,2,3,3,4,4-hexafluorobutanoyl) 4-chloro-2,2,3,3,4,4-hexafluorobutaneperoxoate
InChI:
InChI=1S/C8Cl2F12O4/c9-7(19,20)5(15,16)3(11,12)1(23)25-26-2(24)4(13,14)6(17,18)8(10,21)22
InChI Key:
VOFJGKJEUWEQTF-UHFFFAOYSA-N
SMILES:
O=C(C(C(C(Cl)(F)F)(F)F)(F)F)OOC(=O)C(C(C(Cl)(F)F)(F)F)(F)F
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.898g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.965g/mol
Monoisotopic Mass:
457.898g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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