Methyl 3-(2,4-Dichlorophenyl)-3-oxopropanoate - CAS 56719-67-6
Catalog: |
BB029473 |
Product Name: |
Methyl 3-(2,4-Dichlorophenyl)-3-oxopropanoate |
CAS: |
56719-67-6 |
Synonyms: |
3-(2,4-dichlorophenyl)-3-oxopropanoic acid methyl ester; methyl 3-(2,4-dichlorophenyl)-3-oxopropanoate |
IUPAC Name: | methyl 3-(2,4-dichlorophenyl)-3-oxopropanoate |
Description: | Methyl 3-(2,4-Dichlorophenyl)-3-oxopropanoate (CAS# 56719-67-6) is a useful research chemical. |
Molecular Weight: | 247.07 |
Molecular Formula: | C10H8Cl2O3 |
Canonical SMILES: | COC(=O)CC(=O)C1=C(C=C(C=C1)Cl)Cl |
InChI: | InChI=1S/C10H8Cl2O3/c1-15-10(14)5-9(13)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3 |
InChI Key: | FWNFVLUGKXPFTD-UHFFFAOYSA-N |
LogP: | 2.73920 |
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-3624805-A1 | Pyrazoloquinazolinone antitumor agents | 20170518 |
US-2020148687-A1 | Pyrazoloquinazolinone antitumor agents | 20170518 |
WO-2018213712-A1 | Pyrazoloquinazolinone antitumor agents | 20170518 |
EP-3148972-A1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
EP-3148972-B1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.9850495 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.9850495 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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