Basic information
- CAS
423753-01-9- Standard SMILES
O=C(C=CNc1ccccc1Br)c1ccc2c(c1)OCO2- InChIKey
RDSREUCDDPLFPK-UHFFFAOYSA-N- Molecular formula
- C16H12BrNO3
- Average molar mass
- 346.17 g/mol
- Monoisotopic mass
- 345.00006
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one
Names & synonyms
DTXSID801169958423753-01-91-(2H-1,3-Benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one
Database identifiers
- CAS
423753-01-9- PubChem CID
- 765251
- DTXSID
DTXSID801169958
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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