2-Isoindolinemalonic acid, alpha-(4-bromobutyl)-1,3-dioxo-, diethyl ester
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Basic information
- CAS
32723-82-3- Standard SMILES
CCOC(=O)C(CCCCBr)(C(=O)OCC)N1C(=O)c2ccccc2C1=O- InChIKey
FXQDXADVIAZRLY-UHFFFAOYSA-N- Molecular formula
- C19H22BrNO6
- Average molar mass
- 440.3 g/mol
- Monoisotopic mass
- 439.06305
Names & identifiers
- Preferred name
- 2-Isoindolinemalonic acid, alpha-(4-bromobutyl)-1,3-dioxo-, diethyl ester
- IUPAC
- diethyl 2-(4-bromobutyl)-2-(1,3-dioxoisoindol-2-yl)propanedioate
- English name
- α-(4-Bromobutyl)-1,3-dioxo-2-isoindolinemalonic acid diethyl ester
- Molecular formula
- C19H22BrNO6
- Molecular weight
- 440.29
Names & synonyms
2-Isoindolinemalonic acid, .alpha.-(4-bromobutyl)-1,3-dioxo-, diethyl esterFXQDXADVIAZRLY-UHFFFAOYSA-NPropanedioic acid, (4-bromobutyl)(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, diethyl esterDiethyl 2-(4-bromobutyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)malonate #α-(4-Bromobutyl)-1,3-dioxo-2-isoindolinemalonic acid diethyl esterPropanedioic acid, 2-(4-bromobutyl)-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 1,3-diethyl ester
Database identifiers
- CAS
32723-82-3- PubChem CID
- 568672
- Nikkaji
- J114.721H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
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Compound notes
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