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4-[(2-Fluorobenzyl)oxy]-3-methoxybenzaldehyde

HCID 735458
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Basic information

CAS
423156-68-7
Standard SMILES
COc1cc(C=O)ccc1OCc1ccccc1F
InChIKey
ACPRAZFGKOPTHW-UHFFFAOYSA-N
Molecular formula
C15H13FO3
Average molar mass
260.26 g/mol
Monoisotopic mass
260.08487243

Names & identifiers

Preferred name
4-[(2-Fluorobenzyl)oxy]-3-methoxybenzaldehyde
IUPAC
4-[(2-fluorophenyl)methoxy]-3-methoxybenzaldehyde
English name
4-[(2-Fluorobenzyl)oxy]-3-methoxybenzaldehyde
Molecular formula
C15H13FO3
Molecular weight
260.26

Names & synonyms

4-[(2-fluorobenzyl)oxy]-3-methoxybenzaldehyde423156-68-74-[(2-fluorophenyl)methoxy]-3-methoxybenzaldehyde4-((2-fluorobenzyl)oxy)-3-methoxybenzaldehydeMFCD015905744-(2-Fluoro-benzyloxy)-3-methoxy-benzaldehydeCambridge id 5888698Oprea1_624397Oprea1_859809Benzaldehyde,4-[(2-fluorophenyl)methoxy]-3-methoxy-F3099-6608SCHEMBL5096223
Show more names
AKOS B014222CHEMBRDG-BB 3014222ART-CHEM-BB B014222TIMTEC-BB SBB009341OTAVA-BB BB70188019694-[(2-fluorophenyl)methoxy]-3-methoxy-benzaldehydeBenzaldehyde, 4-[(2-fluorophenyl)methoxy]-3-methoxy-4-[(2-fluorobenzyl)oxy]-3-methoxybenzaldehyde(SALTDATA: FREE)
DTXSID00352773ALBB-001341BBL009384SBB009341STK411551AKOS000191272VS-02059DB-028172

Database identifiers

CAS
423156-68-7
PubChem CID
735458
DTXSID
DTXSID00352773

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

Hazard Codes
Xi
HazardClass
IRRITANT

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hazard_code
Xi
hazard_class
IRRITANT

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Related reactions

2 records
New reaction record
HRID 143928 reaction equation
HRID 143928As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2218552 reaction equation
HRID 2218552As productuspto-grants-2008_08

Compound notes

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