3-(4-Bromoanilino)-1-(4-bromophenyl)pent-2-en-1-one
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Basic information
- CAS
301321-68-6- Standard SMILES
CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1- InChIKey
JWRKRPFCABLNRW-UHFFFAOYSA-N- Molecular formula
- C17H15Br2NO
- Average molar mass
- 409.1 g/mol
- Monoisotopic mass
- 406.95204
Names & identifiers
- Preferred name
- 3-(4-Bromoanilino)-1-(4-bromophenyl)pent-2-en-1-one
- IUPAC
- 3-(4-bromoanilino)-1-(4-bromophenyl)pent-2-en-1-one
- English name
- 3-(4-bromoanilino)-1-(4-bromophenyl)-2-penten-1-one
- Molecular formula
- C17H15Br2NO
- Molecular weight
- 409.11
Names & synonyms
3-(4-bromoanilino)-1-(4-bromophenyl)-2-penten-1-one
Database identifiers
- CAS
301321-68-6- PubChem CID
- 3115684
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 471.118 · 471.118±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.573 · 1.573±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.593 · -0.593±0.70(predicted)
Related reactions
0 records
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Compound notes
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