4-Chloro-2-hydroxy-3-iodobenzaldehyde - CAS 1009093-34-8
Catalog: |
BB069782 |
Product Name: |
4-Chloro-2-hydroxy-3-iodobenzaldehyde |
CAS: |
1009093-34-8 |
Synonyms: |
4-chloro-2-hydroxy-3-iodobenzaldehyde |
IUPAC Name: | 4-chloro-2-hydroxy-3-iodobenzaldehyde |
Description: | 4-Chloro-2-hydroxy-3-iodobenzaldehyde is used in the preparation of isopinocampheyl isoxazolidine compounds for inhibiting the interaction of BCL Proteins with binding partners. |
Molecular Weight: | 282.46 |
Molecular Formula: | C7H4O2ClI |
Canonical SMILES: | C1=CC(=C(C(=C1C=O)O)I)Cl |
InChI: | InChI=1S/C7H4ClIO2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-3,11H |
InChI Key: | SLEBDOQNKBUZIW-UHFFFAOYSA-N |
References: | PCT Int. Appl. (2008), WO 2008024337 A2 20080228. |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.89445 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.89445 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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