Basic information
- CAS
302575-00-4- Standard SMILES
COC(=O)c1cc(Cl)c(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1OC- InChIKey
UNHLQHZXVQKQAZ-UHFFFAOYSA-N- Molecular formula
- C19H15ClN2O6
- Average molar mass
- 402.8 g/mol
- Monoisotopic mass
- 402.0618639
Names & identifiers
- Preferred name
- Methyl 5-chloro-4-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-2-methoxybenzoate
- IUPAC
- methyl 5-chloro-4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methoxybenzoate
- English name
- Methyl 5-chloro-4-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-2-methoxybenzoate
- Molecular formula
- C19H15ClN2O6
- Molecular weight
- 402.79
Names & synonyms
302575-00-4methyl 5-chloro-4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-2-methoxybenzoateF0910-0920methyl 5-chloro-4-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-2-methoxybenzoateOprea1_238246Oprea1_454383SMSSF-0062171AKOS002346024methyl 5-chloro-4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methoxybenzoateSR-01000427631SR-01000427631-1ME 5-CL-4-(((1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)AC)AMINO)-2-METHOXYBENZOATE
Show more names
Benzoic acid, 5-chloro-4-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]amino]-2-methoxy-, methyl ester
methyl 5-chloro-4-{[(1,3-dioxo-2-isoindolinyl)methyl]carbonylamino}-2-anisate
Database identifiers
- CAS
302575-00-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Boiling point
- 625 · 625.0±55.0 °C(Predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- pka
- 11.62 · 11.62±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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