Basic information
- CAS
331269-36-4- Standard SMILES
O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(I)cc1)C2=O)c1ccc(Br)cc1- InChIKey
AQWYLGCZXVXDHB-UHFFFAOYSA-N- Molecular formula
- C23H13BrINO5
- Average molar mass
- 590.2 g/mol
- Monoisotopic mass
- 588.90218
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 2-(4-iodophenyl)-1,3-dioxoisoindole-5-carboxylate
- English name
- 2-(4-bromophenyl)-2-oxoethyl 2-(4-iodophenyl)-1,3-dioxoisoindoline-5-carboxylate
- Molecular formula
- C23H13BrINO5
- Molecular weight
- 590.16149
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylateOprea1_058282Oprea1_826694STK267797AKOS000736944[2-(4-bromophenyl)-2-oxoethyl] 2-(4-iodophenyl)-1,3-dioxoisoindole-5-carboxylateST50225556AG-690/096960152-(4-bromophenyl)-2-oxoethyl 2-(4-iodophenyl)-1,3-dioxobenzo[c]azoline-5-carbo xylate2-(4-bromophenyl)-2-oxoethyl 2-(4-iodophenyl)-1,3-dioxoisoindoline-5-carboxylate2-(4-bromophenyl)-2-oxoethyl 2-(4-iodophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Database identifiers
- CAS
331269-36-4- PubChem CID
- 983603
- EC Number
- 163-231-7
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 729
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…