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3,5-Difluoro-4-hydroxybenzaldehyde

CAT: 0572-TRC-D447315-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D447315-1GSize:1 g
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CAS Number
118276-06-5
Synonyms
4-Hydroxy-3,5-difluorobenzaldehyde
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C1=C(C=C(C(=C1F)O)F)C=O
Molecular Formula
C7H4F2O2
Molecular Weight
158.1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,5-Difluoro-4-hydroxybenzaldehyde
CAS Number118276-06-5
PubChem CID10192584
IUPAC Name3,5-difluoro-4-hydroxybenzaldehyde
Molecular FormulaC7H4F2O2
Molecular Weight158.10
XLogP1.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C1=C(C=C(C(=C1F)O)F)C=O
InChI
InChI=1S/C7H4F2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
SKOYTQILPMNZQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Difluoro-4-hydroxybenzaldehyde
CAS: 118276-06-5
CID: 10192584
Formula: C7H4F2O2
MW: 158.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.10
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass158.01793569
Monoisotopic Mass158.01793569
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
PC8951-013,5-Difluoro-4-hydroxybenzaldehyde
PC201362-013,4-Difluoro-5-hydroxybenzaldehyde
PC1022504-013,5-difluoro-4-hydroxybenzaldehyde oxime
FD67028-012,5-Difluoro-4-hydroxybenzaldehyde
PC1115-014,5-Difluoro-2-hydroxybenzaldehyde
PC1025744-012,4-difluoro-5-hydroxybenzaldehyde
PC1112-013,5-Difluoro-2-hydroxybenzaldehyde
PC1014499-014-Chloro-2,3-difluoro-5-hydroxybenzaldehyde
PC201189-012,4-Difluoro-3-hydroxybenzaldehyde
PC1006752,3-Difluoro-5-hydroxybenzaldehyde

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