5'-Fluoro-2'-iodoacetophenone - CAS 914225-70-0
Catalog: |
BB040181 |
Product Name: |
5'-Fluoro-2'-iodoacetophenone |
CAS: |
914225-70-0 |
Synonyms: |
1-(5-fluoro-2-iodophenyl)ethanone; 1-(5-fluoro-2-iodophenyl)ethanone |
IUPAC Name: | 1-(5-fluoro-2-iodophenyl)ethanone |
Description: | 5'-Fluoro-2'-iodoacetophenone (CAS# 914225-70-0) is a reactant in the preparation of PF-06463922, a potent macrocyclic ALK inhibitor as potential antitumor. |
Molecular Weight: | 264.04 |
Molecular Formula: | C8H6FIO |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)F)I |
InChI: | InChI=1S/C8H6FIO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3 |
InChI Key: | NRLSRIONJVBZDT-UHFFFAOYSA-N |
Boiling Point: | 269.5 °C at 760 mmHg |
Density: | 1.793 g/cm3 |
LogP: | 2.63290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111362967-A | Benzoxadiazatetetradecene derivatives and use thereof | 20200428 |
CN-111362967-B | Benzoxadiazatetetradecene derivatives and use thereof | 20200428 |
CN-111718913-A | Ketoreductase polypeptide and method for preparing (S) -1- (2-iodine-5-fluorophenyl) ethanol by catalyzing ketoreductase polypeptide | 20190320 |
WO-2020119205-A1 | Radioactive fluorine-labeled larotrectinib compound and preparation method therefor | 20181214 |
CN-109705124-B | Radioactive fluorine labeled Larotrectinib compound and preparation method thereof | 20181214 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.94474 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.94474 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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