Basic information
- CAS
220954-16-5- Standard SMILES
N#Cc1cc(F)cc(N2CCOCC2)c1- InChIKey
WGXOQDYGOKYNBP-UHFFFAOYSA-N- Molecular formula
- C11H11FN2O
- Average molar mass
- 206.22 g/mol
- Monoisotopic mass
- 206.08554114
Names & identifiers
- Preferred name
- 3-Fluoro-5-(4-morpholinyl)benzonitrile
- IUPAC
- 3-fluoro-5-morpholin-4-ylbenzonitrile
- English name
- 3-Fluoro-5-(4-morpholinyl)-benzonitrile
- Molecular formula
- C11H11FN2O
- Molecular weight
- 206.22
Names & synonyms
220954-16-53-fluoro-5-(4-morpholinyl)benzonitrileRefChem:2794573-fluoro-5-(morpholin-4-yl)benzonitrile3-fluoro-5-morpholin-4-ylbenzonitrile3-fluoro-5-morpholinobenzonitrileSCHEMBL594313DTXSID701284987VIA954163-(morpholin-4-yl)-5-fluoro-benzonitrileDB-183396EN300-252661
Show more names
3-Fluoro-5-(4-morpholinyl)-benzonitrileBenzonitrile, 3-fluoro-5-(4-morpholinyl)-
G52896
Database identifiers
- CAS
220954-16-5- PubChem CID
- 11298685
- DTXSID
DTXSID701284987- Nikkaji
- J1.042.137C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 360.3 · 360.3±42.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 2.08 · 2.08±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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