2-(4-Bromophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxylate
Basic information
- CAS
331269-37-5- Standard SMILES
COc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3C2=O)cc1- InChIKey
YSOSFAGIMPXJCT-UHFFFAOYSA-N- Molecular formula
- C24H16BrNO6
- Average molar mass
- 494.3 g/mol
- Monoisotopic mass
- 493.0161
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
- English name
- 2-(4-bromophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxylate
- Molecular formula
- C24H16BrNO6
- Molecular weight
- 494.29094
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxylate2-(4-BROMOPHENYL)-2-OXOETHYL 2-(4-METHOXYPHENYL)-1,3-DIOXO-5-ISOINDOLINECARBOXYLATEOprea1_420655Oprea1_843061STK267798AKOS000736945[2-(4-bromophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate331269-37-5ST50738568AB00079046-01AG-690/096960172-(4-bromophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-1,3-dioxobenzo[c]azoline-5-ca rboxylate
Show more names
2-(4-bromophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Database identifiers
- CAS
331269-37-5- PubChem CID
- 983607
- EC Number
- 163-234-3
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 741
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%)
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Related reactions
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Compound notes
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