3-(N-p-Chlorophenylformimidoyl)indole
Basic information
- CAS
22394-33-8- Standard SMILES
Clc1ccc(N=Cc2c[nH]c3ccccc23)cc1- InChIKey
OOQDVATVUWHSHC-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2
- Average molar mass
- 254.71 g/mol
- Monoisotopic mass
- 254.0610761
Names & identifiers
- Preferred name
- 3-(N-p-Chlorophenylformimidoyl)indole
- IUPAC
- N-(4-chlorophenyl)-1-(1H-indol-3-yl)methanimine
- English name
- 3-[N-(p-Chlorophenyl)formimidoyl]-1H-indole
- Molecular formula
- C15H11ClN2
- Molecular weight
- 254.71
Names & synonyms
3-(N-p-Chlorophenylformimidoyl)indole22394-33-8BRN 1532824INDOLE, 3-(N-(p-CHLOROPHENYL)FORMIMIDOYL)-3-[N-(p-Chlorophenyl)formimidoyl]-1H-indoleSCHEMBL18463876DTXSID201384162
Database identifiers
- CAS
22394-33-8- PubChem CID
- 31165
- DTXSID
DTXSID201384162- Nikkaji
- J41.039J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 131 · 131-132 °C(Solvent: Ethanol)
- Boiling point
- 464.822 · 464.822±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.229 · 1.229±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.314 · 15.314±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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