1999-00-4
Product Name:
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
Formula:
C11H11FO3
Synonyms:
(p-Fluorobenzoyl)acetic acid ethyl ester;4-Fluoro-?-oxobenzenepropanoic acid ethyl ester;Ethyl 3-(4-fluorophenyl)-3-oxopropionate;Ethyl 4-fluorobenzoylacetate
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P321:Specific treatment (see … on this label). P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 210.20 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 210.06922237 g/mol |
| Monoisotopic Mass | 210.06922237 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 232 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |