2-(4-Bromophenyl)-2-oxoethyl 2-[4-(butoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylate
Basic information
- CAS
331269-68-2- Standard SMILES
CCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3C2=O)cc1- InChIKey
GDGLDFFRTUKEJJ-UHFFFAOYSA-N- Molecular formula
- C28H22BrNO7
- Average molar mass
- 564.4 g/mol
- Monoisotopic mass
- 563.05796
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 2-[4-(butoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 2-(4-butoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl 2-[4-(butoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate2-(4-BROMOPHENYL)-2-OXOETHYL 2-[4-(BUTOXYCARBONYL)PHENYL]-1,3-DIOXO-5-ISOINDOLINECARBOXYLATESTK267814AKOS001014653UPCMLD0ENAT0505-8770:001ST50225572SR-01000493986SR-01000493986-1Z568080902-(4-bromophenyl)-2-oxoethyl 2-[4-(butoxycarbonyl)phenyl]-1,3-dioxobenzo[c]azo line-5-carboxylate
Database identifiers
- CAS
331269-68-2- PubChem CID
- 2185259
- EC Number
- 163-081-2
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 876
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…