Basic information
- CAS
3701-22-2- Standard SMILES
CC(=O)C(N=Nc1cccc(C)c1)C(=O)c1ccccc1- InChIKey
ASBFLDZZYNJTBC-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- 1-Phenyl-2-(m-tolylazo)-1,3-butanedione
- IUPAC
- 2-[(3-methylphenyl)diazenyl]-1-phenylbutane-1,3-dione
Names & synonyms
1-Phenyl-2-(m-tolylazo)-1,3-butanedione3701-22-2F 23093-Tolyl-azo-benzoyl-aceton [German]3-Tolyl-azo-benzoyl-acetonBRN 09187431,3-BUTANEDIONE, 1-PHENYL-2-(m-TOLYLAZO)-1,3-Butanedione, 2-((3-methylphenyl)azo)-1-phenyl-
Database identifiers
- CAS
3701-22-2- PubChem CID
- 19446
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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