5-Bromo-2-(2-methoxyphenyl)isoindoline-1,3-dione

HCID 765451

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Basic information

CAS: 82104-70-9
Standard SMILES: COc1ccccc1N1C(=O)c2ccc(Br)cc2C1=O
InChIKey: PCGSULTUKJBSRD-UHFFFAOYSA-N
Molecular formula: C15H10BrNO3
Average molar mass: 332.15 g/mol
Monoisotopic mass: 330.98441

Names & identifiers

Preferred name: 5-Bromo-2-(2-methoxyphenyl)isoindoline-1,3-dione
IUPAC: 5-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione

Names & synonyms

5-Bromo-2-(2-methoxyphenyl)isoindoline-1,3-dione82104-70-9STK2675845-bromo-2-(2-methoxyphenyl)-1H-isoindole-1,3(2H)-dione5-bromo-2-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dioneDTXSID40354170AKOS000733020ST502172115-bromo-2-(2-methoxyphenyl)benzo[c]azoline-1,3-dione

Database identifiers

CAS: 82104-70-9
PubChem CID: 765451
DTXSID: DTXSID40354170

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 414

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