Basic information
- CAS
40360-69-8- Standard SMILES
O=C(c1cc2c(cc1Br)OCO2)N1CCc2ccccc21- InChIKey
QPLRSZQARZVJSO-UHFFFAOYSA-N- Molecular formula
- C16H12BrNO3
- Average molar mass
- 346.17 g/mol
- Monoisotopic mass
- 345.00006
Names & identifiers
- Preferred name
- (6-Bromo-2H-1,3-benzodioxol-5-yl)(2,3-dihydro-1H-indol-1-yl)methanone
- IUPAC
- (6-bromo-1,3-benzodioxol-5-yl)-(2,3-dihydroindol-1-yl)methanone
Names & synonyms
40360-69-8NSC269746DTXSID60313385(6-Bromo-2H-1,3-benzodioxol-5-yl)(2,3-dihydro-1H-indol-1-yl)methanoneNSC-269746
Database identifiers
- CAS
40360-69-8- PubChem CID
- 320809
- DTXSID
DTXSID60313385- Nikkaji
- J3.103.758A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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