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Home > Encyclopedia > 4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol

4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol

4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol structure

4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol 

structure
  • CAS No:

    124042-15-5

  • Formula:

    C14H11Cl3O3

  • Chemical Name:

    4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol

  • 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;

4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol Basic Attributes

333.59400

331.977377 g/mol

Characteristics

60.69000

4.30550

1.547g/cm3

518ºC

262.7ºC

1.668

4.69E-11mmHg at 25°C

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

Guide of 4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzene-1,2-diol

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