Methyl 3-(2-Fluorophenyl)-3-oxopropanoate - CAS 185302-86-7
Catalog: |
BB014218 |
Product Name: |
Methyl 3-(2-Fluorophenyl)-3-oxopropanoate |
CAS: |
185302-86-7 |
Synonyms: |
3-(2-fluorophenyl)-3-oxopropanoic acid methyl ester; methyl 3-(2-fluorophenyl)-3-oxopropanoate |
IUPAC Name: | methyl 3-(2-fluorophenyl)-3-oxopropanoate |
Description: | Methyl 3-(2-Fluorophenyl)-3-oxopropanoate (CAS# 185302-86-7 ) is a useful research chemical. |
Molecular Weight: | 196.18 |
Molecular Formula: | C10H9FO3 |
Canonical SMILES: | COC(=O)CC(=O)C1=CC=CC=C1F |
InChI: | InChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3 |
InChI Key: | HVFIYFIBZJWQAE-UHFFFAOYSA-N |
LogP: | 1.57150 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3148972-A1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
EP-3148972-B1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
TW-201625552-A | Pyrazolone derivative as a nitroxide group | 20140527 |
TW-I659950-B | Pyrazolone derivative as a nitroxide group | 20140527 |
US-2015344437-A1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
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: | 1.7 |
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