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113402-81-6 | 3-Hexene, 1,1,3,4,6,6-hexachloro-1,2,2,5,5,6-hexafluoro-, (E)- (9CI)
CAS No: 113402-81-6 Catalog No: AG0008GH MDL No:
Product Description
Catalog Number:
AG0008GH
Chemical Name:
3-Hexene, 1,1,3,4,6,6-hexachloro-1,2,2,5,5,6-hexafluoro-, (E)- (9CI)
CAS Number:
113402-81-6
Molecular Formula:
C6Cl6F6
Molecular Weight:
398.7726
IUPAC Name:
1,1,3,4,6,6-hexachloro-1,2,2,5,5,6-hexafluorohex-3-ene
InChI:
InChI=1S/C6Cl6F6/c7-1(3(13,14)5(9,10)17)2(8)4(15,16)6(11,12)18
InChI Key:
ZUQCAIYMIIQIAS-UHFFFAOYSA-N
SMILES:
Cl/C(=C(\C(C(Cl)(Cl)F)(F)F)/Cl)/C(C(Cl)(Cl)F)(F)F
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.801g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.756g/mol
Monoisotopic Mass:
395.804g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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