4-Chloro-2-iodobenzeneethanol - CAS 1067882-47-6
Catalog: |
BB062409 |
Product Name: |
4-Chloro-2-iodobenzeneethanol |
CAS: |
1067882-47-6 |
Synonyms: |
2-(4-Chloro-2-iodophenyl)ethan-1-ol; 2-(4-Chloro-2-iodo-phenyl)-ethanol |
IUPAC Name: | 2-(4-chloro-2-iodophenyl)ethanol |
Description: | 4-Chloro-2-iodobenzeneethanol is an intermediate in the synthesis of aldosterone synthase inhibitors. |
Molecular Weight: | 282.51 |
Molecular Formula: | C8H8ClIO |
Canonical SMILES: | C1=CC(=C(C=C1Cl)I)CCO |
InChI: | InChI=1S/C8H8ClIO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2 |
InChI Key: | QNGDNQNZADWLNK-UHFFFAOYSA-N |
Solubility: | Chloroform, DCM, Ethyl Acetate |
Appearance: | Yellow Oil |
References: | PCT Int. Appl. (2008), WO 2008119744 A1 20081009.. |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.93084 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.93084 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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