Ethyl (4-fluorobenzoyl)acetate - CAS 1999-00-4
Catalog: |
BB015431 |
Product Name: |
Ethyl (4-fluorobenzoyl)acetate |
CAS: |
1999-00-4 |
Synonyms: |
ethyl 3-(4-fluorophenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(4-fluorophenyl)-3-oxopropanoate |
Description: | Ethyl (4-fluorobenzoyl)acetate (CAS# 1999-00-4) is a useful research chemical. |
Molecular Weight: | 210.20 |
Molecular Formula: | C11H11FO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC=C(C=C1)F |
InChI: | InChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3 |
InChI Key: | SJUXLKYJKQBZLM-UHFFFAOYSA-N |
Boiling Point: | 117-120 °C |
Purity: | 95.0 % (HPLC) |
Density: | 1.174 g/cm3 |
MDL: | MFCD03093631 |
LogP: | 1.96160 |
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 |
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PMID | Publication Date | Title | Journal |
22895969 | 20120815 | Genital ulcer disease treatment for reducing sexual acquisition of HIV | The Cochrane database of systematic reviews |
22837440 | 20120101 | Mass spectrometic study of speciation in aluminium-fluoroquinolone solutions | European journal of mass spectrometry (Chichester, England) |
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19428092 | 20091201 | Synergistic antitumor effects of fleroxacin with 5-fluorouracil in vitro and in vivo for bladder cancer cell lines | Urology |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.06922237 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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