Ethyl (2-iodobenzoyl)acetate - CAS 90034-85-8
Catalog: |
BB039742 |
Product Name: |
Ethyl (2-iodobenzoyl)acetate |
CAS: |
90034-85-8 |
Synonyms: |
ethyl 3-(2-iodophenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(2-iodophenyl)-3-oxopropanoate |
Description: | Ethyl (2-iodobenzoyl)acetate (CAS# 90034-85-8 ) is a useful research chemical. |
Molecular Weight: | 318.11 |
Molecular Formula: | C11H11IO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC=CC=C1I |
InChI: | InChI=1S/C11H11IO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3 |
InChI Key: | RMXYWHBYIQLPGY-UHFFFAOYSA-N |
Boiling Point: | 340.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.609 g/mL at 25 °C(lit.) |
MDL: | MFCD00157146 |
LogP: | 2.58470 |
Publication Number | Title | Priority Date |
US-2012220550-A1 | Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same | 20090902 |
US-2014066404-A1 | Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same | 20090902 |
US-8604210-B2 | Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same | 20090902 |
US-9000176-B2 | Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same | 20090902 |
JP-H11116506-A | Method for producing disubstituted alkane compounds | 19971013 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.97529 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.97529 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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