7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid
Basic information
- CAS
159831-77-3- Standard SMILES
O=C(O)c1nnc2cc(Cl)c(F)cc2c1N=Cc1ccccc1- InChIKey
TVXJHWQSLDWOGS-UHFFFAOYSA-N- Molecular formula
- C16H9ClFN3O2
- Average molar mass
- 329.71 g/mol
- Monoisotopic mass
- 329.0367324
Names & identifiers
- Preferred name
- 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid
- IUPAC
- 4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxylic acid
Names & synonyms
159831-77-34-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxylic acid7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid3-Cinnolinecarboxylic acid, 7-chloro-6-fluoro-4-((phenylmethylene)amino)-
Database identifiers
- CAS
159831-77-3- PubChem CID
- 3074582
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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