3-(2-chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one
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3-(2-chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one
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CAS No:
101913-82-0
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Formula:
C11H9ClF12O3
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Chemical Name:
3-(2-chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one
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Synonyms:
NSC664301;2,6-Bis(trifluoromethyl)-3-(2-chloroethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-4-heptanone;3-(2-chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one;101913-82-0;4-Heptanone, 2,6-bis(trifluoromethyl)-3-(2-chloroethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-;CHEMBL1974954;DTXSID80906814;NSC-664301;3-(2-Chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone;NCI60_022175
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CAS No:
3-(2-chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one Basic Attributes
452.62 g/mol
452.0048598 g/mol
664301
Computed Properties
Molecular Weight:452.62
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:6
Exact Mass:452.0048598
Monoisotopic Mass:452.0048598
Topological Polar Surface Area:57.5
Heavy Atom Count:27
Complexity:505
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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