2-Buten-1-one, 1-(4-bromophenyl)-3-[[4-(2-phenyldiazenyl)phenyl]amino]-
Basic information
- CAS
1110702-33-4- Standard SMILES
CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
BSKGKIBDPRRTJY-UHFFFAOYSA-N- Molecular formula
- C22H18BrN3O
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 419.06332
Names & identifiers
- Preferred name
- 2-Buten-1-one, 1-(4-bromophenyl)-3-[[4-(2-phenyldiazenyl)phenyl]amino]-
- IUPAC
- 1-(4-bromophenyl)-3-(4-phenyldiazenylanilino)but-2-en-1-one
Names & synonyms
DTXSID2010378142-Buten-1-one, 1-(4-bromophenyl)-3-[[4-(2-phenyldiazenyl)phenyl]amino]-1110702-33-4
Database identifiers
- CAS
1110702-33-4- PubChem CID
- 85511640
- DTXSID
DTXSID201037814
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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