Basic information
- CAS
15257-81-5- Standard SMILES
O=C(c1ccc(F)cc1)N1CC1- InChIKey
WJMOWGFGRONZPA-UHFFFAOYSA-N- Molecular formula
- C9H8FNO
- Average molar mass
- 165.16 g/mol
- Monoisotopic mass
- 165.05899204
Names & identifiers
- Preferred name
- 1-(4-Fluorobenzoyl)aziridine
- IUPAC
- aziridin-1-yl-(4-fluorophenyl)methanone
- English name
- 4-Fluorbensoylaziridine
- Molecular formula
- C9H8FNO
- Molecular weight
- 165.16
Names & synonyms
1-(4-Fluorobenzoyl)aziridineEINECS 239-296-34CKY5CPC4KDTXSID901650711-AZIRIDINYL(4-FLUOROPHENYL)METHANONERefChem:74477DTXCID1087562239-296-315257-81-5aziridin-1-yl(4-fluorophenyl)methanoneaziridin-1-yl-(4-fluorophenyl)methanoneMethanone,1-aziridinyl(4-fluorophenyl)-
Show more names
4-Fluorbensoylaziridine4-fluoro-benz-oyl-aziridineMethanone, 1-aziridinyl(4-fluorophenyl)-
UNII-4CKY5CPC4K4-fluoroA-benzA-oylA-aziridineSCHEMBL6985975AKOS006240809(Aziridin-1-yl)(4-fluorophenyl)methanoneDB-102689NS00051099
Database identifiers
- CAS
15257-81-5- PubChem CID
- 84853
- DTXSID
DTXSID90165071- UNII
- 4CKY5CPC4K
- EC Number
- 239-296-3
- Nikkaji
- J218.385D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 285 · 285.0±23.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- pka
- -3.16 · -3.16±0.20(Predicted)
- FDA UNII
- 4 CKY5CPC4K · 4CKY5CPC4K
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
11 records
Compound notes
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