Basic information
- CAS
204192-45-0- Standard SMILES
N#Cc1ccc(N2CCNCC2)cc1F- InChIKey
GDWPXCGQYKBZHW-UHFFFAOYSA-N- Molecular formula
- C11H12FN3
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.1015256
Names & identifiers
- Preferred name
- 2-Fluoro-4-(piperazin-1-YL)benzonitrile
- IUPAC
- 2-fluoro-4-piperazin-1-ylbenzonitrile
- English name
- 2-Fluoro-4-(piperazin-1-yl)benzonitrile
- Molecular formula
- C11H12FN3
- Molecular weight
- 205.23
Names & synonyms
204192-45-02-FLUORO-4-(PIPERAZIN-1-YL)BENZONITRILE2-fluoro-4-piperazin-1-ylbenzonitrileBenzonitrile, 2-fluoro-4-(1-piperazinyl)-2-Fluoro-4-piperazin-1-yl-benzonitrileSCHEMBL2944271DTXSID40596018GDWPXCGQYKBZHW-UHFFFAOYSA-NAKOS0163430302-fluoro-4-(piperazin-1-yl)-benzonitrileDB-066198F95533
Show more names
2-Fluoro-4-(1-piperazinyl)benzonitrile
2-Fluoro-4-(1-piperazinyl)benzonitrile, AldrichCPR
Database identifiers
- CAS
204192-45-0- PubChem CID
- 18760045
- DTXSID
DTXSID40596018
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 384.9 · 384.9±42.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 8.69 · 8.69±0.10(Predicted)
Chemistry & industry
Suppliers5 total
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
9 records
Compound notes
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