Basic information
- CAS
331269-85-3- Standard SMILES
O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1ccc(Br)cc1- InChIKey
WXTPUUMLAQOVFJ-UHFFFAOYSA-N- Molecular formula
- C23H12BrCl2NO5
- Average molar mass
- 533.2 g/mol
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 2-(2,5-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 2-(2,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate
- English name
- 2-(4-bromophenyl)-2-oxoethyl 2-(2,5-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate
- Molecular formula
- C23H12BrCl2NO5
- Molecular weight
- 533.15508
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl 2-(2,5-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylateOprea1_331632Oprea1_389937STK267831AKOS000735641[2-(4-bromophenyl)-2-oxoethyl] 2-(2,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylateST50854874AG-690/096970102-(4-bromophenyl)-2-oxoethyl 2-(2,5-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate2-(4-bromophenyl)-2-oxoethyl 2-(2,5-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate2-(4-bromophenyl)-2-oxoethyl 2-(2,5-dichlorophenyl)-1,3-dioxobenzo[c]azoline-5 -carboxylate
Database identifiers
- CAS
331269-85-3
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 771
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…