Basic information
- CAS
80403-39-0- Standard SMILES
N#CC(=NNC(=O)c1cccnc1)c1ccc(Cl)cc1- InChIKey
RFVUSEWTTDIMHE-UHFFFAOYSA-N- Molecular formula
- C14H9ClN4O
- Average molar mass
- 284.7 g/mol
- Monoisotopic mass
- 284.0464886
Names & identifiers
- Preferred name
- N-[(4-Chlorophenyl)(cyano)methylidene]pyridine-3-carbohydrazonic acid
- IUPAC
- 4-chloro-N-(pyridine-3-carbonylamino)benzenecarboximidoyl cyanide
Names & synonyms
DTXSID401001219N-[(4-Chlorophenyl)(cyano)methylidene]pyridine-3-carbohydrazonic acid
Database identifiers
- CAS
80403-39-0- PubChem CID
- 336597
- DTXSID
DTXSID401001219
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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