Basic information
- CAS
23564-67-2- Standard SMILES
Cc1ccc(N=C(N)c2ccncc2)cc1Cl- InChIKey
NUNHPHHBQUMIGL-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3
- Average molar mass
- 245.71 g/mol
- Monoisotopic mass
- 245.0719751
Names & identifiers
- Preferred name
- Isonicotinamidine, N-(3-chloro-p-tolyl)-
- IUPAC
- N'-(3-chloro-4-methylphenyl)pyridine-4-carboximidamide
- English name
- N-(3-Chloro-p-tolyl)isonicotinamidine
- Molecular formula
- C13H12ClN3
- Molecular weight
- 245.71
Names & synonyms
N-(3-Chloro-p-tolyl)isonicotinamidineBRN 0477386ISONICOTINAMIDINE, N-(3-CHLORO-p-TOLYL)-23564-67-24-Pyridinecarboximidamide, N-(3-chloro-4-methylphenyl)-DTXSID90178166RefChem:349656DTXCID20100657N'-(3-chloro-4-methylphenyl)pyridine-4-carboximidamide
Database identifiers
- CAS
23564-67-2- PubChem CID
- 31997
- DTXSID
DTXSID90178166- Nikkaji
- J68.791J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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