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2,3,4,5-Tetrachloro-6-Methoxyphenol
[CAS# 2539-17-5]

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Identification
Name 2,3,4,5-Tetrachloro-6-Methoxyphenol
Synonyms 2,3,4,5-Tetrachloro-6-Methoxy-Phenol; Aids-107803; Aids107803
Molecular Structure CAS#: 2539-17-5, 2,3,4,5-Tetrachloro-6-Methoxyphenol
Molecular Formula C7H4Cl4O2
Molecular Weight 261.92
CAS Registry Number 2539-17-5
SMILES COC1=C(C(=C(Cl)C(=C1Cl)Cl)Cl)O
InChI 1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3
InChIKey YZZVKLJKDFFSFL-UHFFFAOYSA-N
Properties
Density 1.64g/cm3 (Cal.)
Boiling point 316.025°C at 760 mmHg (Cal.)
Flash point 144.927°C (Cal.)
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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