Basic information
- CAS
305864-19-1- Standard SMILES
CC1(C)CC(=O)C(=CNc2ccc(Br)cc2)C(=O)C1- InChIKey
XWWPVVAKGFMVOF-UHFFFAOYSA-N- Molecular formula
- C15H16BrNO2
- Average molar mass
- 322.2 g/mol
Names & identifiers
- Preferred name
- CID 746541
- IUPAC
- 2-[(4-bromoanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
- English name
- 2-(((4-Bromophenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione
- Molecular formula
- C15H16BrNO2
- Molecular weight
- 322.2
Names & synonyms
2-(((4-Bromophenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione1,3-Cyclohexanedione, 2-[[(4-bromophenyl)amino]methylene]-5,5-dimethyl-2-{[(4-bromophenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Database identifiers
- CAS
305864-19-1
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 419 · 419.0±45.0 °C(Predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- pka
- -1.85 · -1.85±0.40(Predicted)
Chemistry & industry
Suppliers4 total
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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