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3-Bromo-2,5-difluoro-4-methoxybenzaldehyde

HCID 21966431
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1c(F)cc(C=O)c(F)c1Br
InChIKey
JUQPMGSSKZAASF-UHFFFAOYSA-N
Molecular formula
C8H5BrF2O2
Average molar mass
251.02 g/mol

Names & identifiers

Preferred name
3-Bromo-2,5-difluoro-4-methoxybenzaldehyde
IUPAC
3-bromo-2,5-difluoro-4-methoxybenzaldehyde

Names & synonyms

3-bromo-2,5-difluoro-4-methoxybenzaldehydeSCHEMBL5759448JUQPMGSSKZAASF-UHFFFAOYSA-N3-bromo-2,5-difluoro-4-methoxy benzaldehyde786690-22-0

Database identifiers

PubChem CID
21966431

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
191

Related reactions

6 records
New reaction record
HRID 99103 reaction equation
HRID 99103As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 687315 reaction equation
HRID 687315As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2212593 reaction equation
HRID 2212593As reactantuspto-grants-2006_09
HRID 2212595 reaction equation
HRID 2212595As productuspto-grants-2006_09
HRID 2212606 reaction equation
HRID 2212606As reactantuspto-grants-2006_09
HRID 2350810 reaction equation
HRID 2350810As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes