Basic information
- CAS
56428-69-4- Standard SMILES
C#CCNc1ccc(Cl)cc1C(=O)c1ccccc1- InChIKey
TXZMSINCINMNAL-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO
- Average molar mass
- 269.72 g/mol
- Monoisotopic mass
- 269.0607417
Names & identifiers
- Preferred name
- 2-(2-Propynylamino)-5-chloro-benzophenone
- IUPAC
- [5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
Names & synonyms
2-(2-Propynylamino)-5-chloro-benzophenone56428-69-4DTXSID30335993RefChem:251085DTXCID10287082TXZMSINCINMNAL-UHFFFAOYSA-N{5-Chloro-2-[(prop-2-yn-1-yl)amino]phenyl}(phenyl)methanone
Database identifiers
- CAS
56428-69-4- PubChem CID
- 528283
- DTXSID
DTXSID30335993
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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