5-Hydroxy-3-(4-iodophenyl)isoxazole - CAS 1692378-88-3
Catalog: |
BB012528 |
Product Name: |
5-Hydroxy-3-(4-iodophenyl)isoxazole |
CAS: |
1692378-88-3 |
Synonyms: |
3-(4-iodophenyl)-2H-isoxazol-5-one; 3-(4-iodophenyl)-2H-1,2-oxazol-5-one |
IUPAC Name: | 3-(4-iodophenyl)-2H-1,2-oxazol-5-one |
Description: | 5-Hydroxy-3-(4-iodophenyl)isoxazole (CAS# 1692378-88-3 ) is a useful research chemical. |
Molecular Weight: | 287.05 |
Molecular Formula: | C9H6INO2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=O)ON2)I |
InChI: | InChI=1S/C9H6INO2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H |
InChI Key: | KWIZVPBOTUSPRG-UHFFFAOYSA-N |
LogP: | 2.65180 |
Publication Number | Title | Priority Date |
EP-2735562-A1 | Estrogen receptor modulators and uses thereof | 20100916 |
EP-2735562-B1 | Estrogen receptor modulators and uses thereof | 20100916 |
US-2013231333-A1 | Estrogen receptor modulators and uses thereof | 20100916 |
WO-2012037411-A2 | Estrogen receptor modulators and uses thereof | 20100916 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.94433 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.94433 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Related Functional Groups
Oxazole/Thiazole
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