Basic information
- CAS
952183-53-8- Standard SMILES
CCOC(=O)c1ccc(C#N)c(F)c1- InChIKey
OEYSQQVQGGLOQP-UHFFFAOYSA-N- Molecular formula
- C10H8FNO2
- Average molar mass
- 193.17 g/mol
- Monoisotopic mass
- 193.05390672
Names & identifiers
- Preferred name
- Ethyl 4-cyano-3-fluorobenzoate
- IUPAC
- ethyl 4-cyano-3-fluorobenzoate
- English name
- Ethyl 4-cyano-3-fluorobenzoate
- Molecular formula
- C10H8FNO2
- Molecular weight
- 193.17
Names & synonyms
ethyl 4-cyano-3-fluorobenzoate952183-53-8ethyl 4-cyano-3-fluorobenzenecarboxylateMFCD09607944ethyl 4-cyano-3-fluoro-benzoateETHYL4-CYANO-3-FLUOROBENZOATEethyl 3-fluoro-4-cyanobenzoateSCHEMBL10614568DTXSID90611987OEYSQQVQGGLOQP-UHFFFAOYSA-NCS-B1396SBB091560
Show more names
TD1317AKOS005072193DB-0604SY030653DB-370404Benzoic acid, 4-cyano-3-fluoro-, ethyl esterF218052
Database identifiers
- CAS
952183-53-8- PubChem CID
- 21284546
- DTXSID
DTXSID90611987
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers31 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
南京圣赛化工有限公司025-85205967 13951876367 · [email protected]
常州鑫研合医药科技有限公司0519-85252752 15366845260 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
Related reactions
3 records
Compound notes
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