Completing data — usually done within a minute
Basic information
- CAS
129747-78-0- Standard SMILES
O=C1c2ccccc2C(=O)N1c1cccc(CBr)c1- InChIKey
SBRXBPJZOZZQSL-UHFFFAOYSA-N- Molecular formula
- C15H10BrNO2
- Average molar mass
- 316.15 g/mol
- Monoisotopic mass
- 314.98949
Names & identifiers
- Preferred name
- 2-[3-(Bromomethyl)phenyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[3-(bromomethyl)phenyl]isoindole-1,3-dione
Names & synonyms
129747-78-02-[3-(Bromomethyl)phenyl]-1H-isoindole-1,3(2H)-dione2-(3-(Bromomethyl)phenyl)-1H-isoindole-1,3(2H)-dioneRefChem:251349N-(3-bromomethylphenyl)phthalimideNSC338435SCHEMBL9454327SBRXBPJZOZZQSL-UHFFFAOYSA-NDTXSID501217388NSC-338435
Database identifiers
- CAS
129747-78-0- PubChem CID
- 334098
- DTXSID
DTXSID501217388- Nikkaji
- J943.974I
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
2 records
Compound notes
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