Methyl (4-chlorobenzoyl)acetate - CAS 22027-53-8
Catalog: |
BB017302 |
Product Name: |
Methyl (4-chlorobenzoyl)acetate |
CAS: |
22027-53-8 |
Synonyms: |
methyl 3-(4-chlorophenyl)-3-oxopropanoate |
IUPAC Name: | methyl 3-(4-chlorophenyl)-3-oxopropanoate |
Description: | Methyl (4-chlorobenzoyl)acetate (CAS# 22027-53-8) is a useful research chemical. |
Molecular Weight: | 212.63 |
Molecular Formula: | C10H9ClO3 |
Canonical SMILES: | COC(=O)CC(=O)C1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C10H9ClO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3 |
InChI Key: | OIPOJEDRCKVDJK-UHFFFAOYSA-N |
Boiling Point: | 298.9 ℃ at 760 mmHg |
Density: | 1.255 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00216520 |
LogP: | 2.08580 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
JP-2021014437-A | Azole derivatives, as well as agricultural and horticultural chemicals and industrial material protectants | 20190716 |
AU-2018358346-A1 | Modulators of the integrated stress pathway | 20171102 |
TW-201932447-A | Integrating stress pathway regulator | 20171102 |
WO-2019090069-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0240218 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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