1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one
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![1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9da37262dcdc43b2aa7293939e622dcf.png "1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one")
1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one
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CAS No:
101913-83-1
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Formula:
C9H6Cl2F10O3
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Chemical Name:
1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one
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Synonyms:
NSC659174;2,6-Bis(trifluoromethyl)-1,7-dichloro-2,6-dihydroxy-1,1,7,7-tetrafluoro-4-heptanone;1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one;101913-83-1;NCIMech_000794;2,6-Bis(trifluoromethyl)-1,7-dichloro-1,1,7,7-tetrafluoro-2,6-dihydroxy-4-heptanone;4-Heptanone, 2,6-bis(trifluoromethyl)-1,7-dichloro-2,6-dihydroxy-1,1,7,7-tetrafluoro-;CHEMBL1992156;DTXSID40906815;NSC-659174;1,7-Dichloro-1,1,7,7-tetrafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone;NCI60_020838
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CAS No:
1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one Basic Attributes
423.03 g/mol
421.9534311 g/mol
659174
Computed Properties
Molecular Weight:423.03
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:421.9534311
Monoisotopic Mass:421.9534311
Topological Polar Surface Area:57.5
Heavy Atom Count:24
Complexity:449
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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