4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol
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4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol
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CAS No:
124042-15-5
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Formula:
C14H11Cl3O3
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Chemical Name:
4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol
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Synonyms:
1,2-Benzenediol,4-(2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl); 4-(2,2,2-Trichloro-1-(4-hydroxyphenyl)ethyl)benzene-1,2-diol;
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CAS No:
4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol Basic Attributes
333.59400
331.977377 g/mol
Drug Information
Tris-hydroxy-methoxychlor is a known human metabolite of 4-[(s)-alpha-(trichloromethyl)-4-methoxybenzyl]-1,2-benzenediol and Bis-hydroxy-methoxychlor.
Computed Properties
Molecular Weight:333.6
XLogP3:4.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:331.977377
Monoisotopic Mass:331.977377
Topological Polar Surface Area:60.7
Heavy Atom Count:20
Complexity:313
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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