Basic information
- CAS
106245-04-9- Standard SMILES
Oc1ccc(F)cc1OCc1ccccc1- InChIKey
DWOLFTCGXRAKSN-UHFFFAOYSA-N- Molecular formula
- C13H11FO2
- Average molar mass
- 218.22 g/mol
- Monoisotopic mass
- 218.07430781
Names & identifiers
- Preferred name
- 2-(Benzyloxy)-4-fluorophenol
- IUPAC
- 4-fluoro-2-phenylmethoxyphenol
- English name
- beta-D-Glucose
- Molecular formula
- C13H11FO2
- Molecular weight
- 218.22
Names & synonyms
2-(benzyloxy)-4-fluorophenol106245-04-94-fluoro-2-phenylmethoxyphenol4-fluoro-2-(phenylmethoxy)phenolPhenol, 4-fluoro-2-(phenylmethoxy)-2-benzyloxy-4-fluoro-phenolSCHEMBL2775028DWOLFTCGXRAKSN-UHFFFAOYSA-NDTXSID001301740GEA24504MFCD23110934DB-163326
Show more names
G54275EN300-4421811
Database identifiers
- CAS
106245-04-9- PubChem CID
- 21241585
- DTXSID
DTXSID001301740
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 335.9 · 335.9±27.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 9.52 · 9.52±0.43(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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
安徽合诺生物科技有限公司0555-2761852
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
7 records
Compound notes
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