Basic information
- CAS
59986-44-6- Standard SMILES
O=C(OCc1ccccc1)c1ccc(F)cc1- InChIKey
CNTWNLQFUTWHID-UHFFFAOYSA-N- Molecular formula
- C14H11FO2
- Average molar mass
- 230.23 g/mol
- Monoisotopic mass
- 230.07430775
Names & identifiers
- Preferred name
- Benzyl 4-fluorobenzoate
- IUPAC
- benzyl 4-fluorobenzoate
- English name
- Benzoic acid, 4-fluoro-, phenylMethyl ester
- Molecular formula
- C14H11FO2
- Molecular weight
- 230.23
Names & synonyms
Benzyl 4-fluorobenzoate59986-44-6DTXSID603421754-Fluorobenzoic acid, benzyl esterRefChem:328504DTXCID20293255CNTWNLQFUTWHID-UHFFFAOYSA-NBenzoic acid, 4-fluoro-, phenylmethyl esterMFCD04339491Benzyl-4-fluorobenzoateBenzyl 4-fluorobenzoate #SCHEMBL663552
Show more names
Phenylmethyl 4-fluorobenzoate
SCHEMBL160504504-fluoro benzoic acid benzyl ester4-Fluoro-benzoic acid benzyl esterAKOS003497972AT17961SY246567DB-400699A1-39238
Database identifiers
- CAS
59986-44-6- PubChem CID
- 579322
- DTXSID
DTXSID60342175- Nikkaji
- J2.185.389E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 328.5 · 328.5±17.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
14 records
Compound notes
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