Basic information
- CAS
346459-53-8- Standard SMILES
COc1ccc(C=O)cc1OCc1cccc(F)c1- InChIKey
MELWMTALSAOIPU-UHFFFAOYSA-N- Molecular formula
- C15H13FO3
- Average molar mass
- 260.26 g/mol
- Monoisotopic mass
- 260.08487243
Names & identifiers
- Preferred name
- 3-[(3-Fluorobenzyl)oxy]-4-methoxybenzaldehyde
- IUPAC
- 3-[(3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
- English name
- 3-[(3-Fluorobenzyl)oxy]-4-methoxybenzaldehyde
- Molecular formula
- C15H13FO3
- Molecular weight
- 260.26
Names & synonyms
3-[(3-fluorobenzyl)oxy]-4-methoxybenzaldehyde346459-53-83-[(3-fluorophenyl)methoxy]-4-methoxybenzaldehyde3-((3-Fluorobenzyl)oxy)-4-methoxybenzaldehydeMFCD01990235Cambridge id 6986644Oprea1_092501Oprea1_575709Benzaldehyde,3-[(3-fluorophenyl)methoxy]-4-methoxy-DTXSID30354644ALBB-001302BBL016889
Show more names
IVK/1269215ZINC00269181Benzaldehyde, 3-[(3-fluorophenyl)methoxy]-4-methoxy-3-[(3-fluorobenzyl)oxy]-4-methoxybenzaldehyde(SALTDATA: FREE)
STK436602AKOS000177884VS-05662CS-0314875ST50843609H21391F3075973-[(3-fluorophenyl)methoxy]-4-methoxy-benzaldehyde
Database identifiers
- CAS
346459-53-8- PubChem CID
- 777980
- DTXSID
DTXSID30354644
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 390.8 · 390.8±32.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…