4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol
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4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol
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CAS No:
34848-25-4
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Formula:
C11H9F6NO4
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Chemical Name:
4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol
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Synonyms:
1-(m-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol;34848-25-4;NSC 162144;BRN 2012266;NSC162144;1,3-BUTANEDIOL, 1-(m-NITROPHENYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-;Benzyl alcohol, m-nitro-alpha-(2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-;NSC-162144
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CAS No:
4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol Basic Attributes
333.18 g/mol
333.04357674 g/mol
162144
Computed Properties
Molecular Weight:333.18
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:333.04357674
Monoisotopic Mass:333.04357674
Topological Polar Surface Area:86.3
Heavy Atom Count:22
Complexity:391
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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