5-Amino-2-(2-bromoethyl)-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
437715-63-4- Standard SMILES
Nc1ccc2c(c1)C(=O)N(CCBr)C2=O- InChIKey
ZNQAYUWDCRXHMO-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2O2
- Average molar mass
- 269.09 g/mol
- Monoisotopic mass
- 267.98474
Names & identifiers
- Preferred name
- 5-Amino-2-(2-bromoethyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 5-amino-2-(2-bromoethyl)isoindole-1,3-dione
Names & synonyms
437715-63-4DTXSID204705245-Amino-2-(2-bromoethyl)-1H-isoindole-1,3(2H)-dioneRefChem:300938DTXCID504213425-amino-2-(2-bromoethyl)-isoindole-1,3-dione
Database identifiers
- CAS
437715-63-4- PubChem CID
- 11680582
- DTXSID
DTXSID20470524- Nikkaji
- J2.370.006I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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