Basic information
- CAS
65719-60-0- Standard SMILES
Cc1cc(C)c2c(=O)c(I)c(C)[nH]c2c1- InChIKey
KBZDLEIQRJCXDN-UHFFFAOYSA-N- Molecular formula
- C12H12INO
- Average molar mass
- 313.13 g/mol
- Monoisotopic mass
- 312.99636
Names & identifiers
- Preferred name
- 3-Iodo-2,5,7-trimethylquinolin-4(1H)-one
- IUPAC
- 3-iodo-2,5,7-trimethyl-1H-quinolin-4-one
Names & synonyms
65719-60-03-IODO-2,5,7-TRIMETHYLQUINOLIN-4-OL3-iodo-2,5,7-trimethyl-1H-quinolin-4-one3-Iodo-2,5,7-trimethylquinolin-4(1H)-oneDTXSID40495153
Database identifiers
- CAS
65719-60-0- PubChem CID
- 12376848
- DTXSID
DTXSID40495153
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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