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3,6-Dichloro-2-Methoxy-Benzoic Acid
[CAS# 62610-39-3]

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Identification
Name 3,6-Dichloro-2-Methoxy-Benzoic Acid
Synonyms 3,6-Dichloro-2-Methoxy-Benzoic Acid; 2,5-Dichloro-6-Methoxybenzoic Acid; 2-Methoxy-3,6-Dichlorobenzoic Acid
Molecular Formula C8H6Cl2O3
Molecular Weight 221.04
CAS Registry Number 62610-39-3
SMILES C1=CC(=C(C(=C1Cl)C(O)=O)OC)Cl
InChI 1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey IWEDIXLBFLAXBO-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
Boiling point 326.1±37.0°C at 760 mmHg (Cal.)
Flash point 151.0±26.5°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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