Ethyl 2-[3-(2-chloro-6-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
Basic information
- CAS
303986-51-8- Standard SMILES
CCOC(=O)CN1C(=O)C(=O)N(Cc2c(F)cccc2Cl)C1=O- InChIKey
IRPPKFFZNZFWPP-UHFFFAOYSA-N- Molecular formula
- C14H12ClFN2O5
- Average molar mass
- 342.7 g/mol
- Monoisotopic mass
- 342.0418773
Names & identifiers
- Preferred name
- Ethyl 2-[3-(2-chloro-6-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
- IUPAC
- ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
- English name
- Ethyl 2-[3-(2-chloro-6-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
- Molecular formula
- C14H12ClFN2O5
- Molecular weight
- 342.71
Names & synonyms
303986-51-8ethyl 2-[3-(2-chloro-6-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetateethyl 2-{3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl}acetateethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetateC14H12ClFN2O5MLS001165618CHEMBL1465120DTXSID801327249HMS2859K03MFCD01314584AKOS005078299SMR000549822
Show more names
1-Imidazolidineacetic acid, 3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxo-, ethyl ester
11M-031Ethyl {3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl}acetateEthyl 2-(3-(2-chloro-6-fluorobenzyl)-2,4,5-trioxoimidazolidin-1-yl)acetateethyl 2-[3-[(2-chloro-6-fluoro-phenyl)methyl]-2,4,5-trioxo-imidazolidin-1-yl]acetateethyl2-{3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl}acetate
Database identifiers
- CAS
303986-51-8- PubChem CID
- 2767597
- DTXSID
DTXSID801327249- ChEMBL
CHEMBL1465120
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 529
Experimental & physicochemical properties
Solubility45.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 494.2 · 494.2±45.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- pka
- -3.07 · -3.07±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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