ethyl 2-fluorobenzoylformate - CAS 1813-93-0
Catalog: |
BB013810 |
Product Name: |
ethyl 2-fluorobenzoylformate |
CAS: |
1813-93-0 |
Synonyms: |
2-(2-fluorophenyl)-2-oxoacetic acid ethyl ester; ethyl 2-(2-fluorophenyl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(2-fluorophenyl)-2-oxoacetate |
Description: | ethyl 2-fluorobenzoylformate (CAS# 1813-93-0) is a useful research chemical compound. |
Molecular Weight: | 196.18 |
Molecular Formula: | C10H9FO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CC=CC=C1F |
InChI: | InChI=1S/C10H9FO3/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3 |
InChI Key: | YMBISXZGELJNMH-UHFFFAOYSA-N |
Boiling Point: | 271.2 °C at 760 mmHg |
Density: | 1.213 g/cm3 |
MDL: | MFCD09801420 |
LogP: | 1.57150 |
Publication Number | Title | Priority Date |
US-2014023667-A1 | Pyrrolidine-fused thiadiazine dioxide compounds as bace inhibitors, compositions, and their use | 20110407 |
US-9145426-B2 | Pyrrolidine-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | 20110407 |
WO-2012138590-A1 | Pyrrolidine-fused thiadiazine dioxide compounds as bace inhibitors, compositions, and their use | 20110407 |
US-2013253022-A1 | Novel fluorinated sulfamides exhibiting neuroprotective action and their method of use | 20101130 |
WO-2012074784-A2 | Novel fluorinated sulfamides exhibiting neuroprotective action and their method of use | 20101130 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.05357231 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.05357231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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