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2,4-difluoro-5-hydroxybenzaldehyde

CAT: 0127-PC1025744-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1025744-01Size:250 mg
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CAS Number
1806330-57-3
MDL Number
MFCD24539281
Purity
97%
Smiles
C1 (c (cc (c (c1) O) F) F) C=O

Chemical Information

2,4-Difluoro-5-hydroxybenzaldehyde
CAS Number1806330-57-3
PubChem CID117275493
IUPAC Name2,4-difluoro-5-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
Complexity151
SMILES
C1=C(C(=CC(=C1O)F)F)C=O
InChI
InChI=1S/C7H4F2O2/c8-5-2-6(9)7(11)1-4(5)3-10/h1-3,11H
InChIKey
YUHAZIWJSPBIJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Difluoro-5-hydroxybenzaldehyde
CAS: 1806330-57-3
CID: 117275493
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
Complexity151
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
FD67028-012,5-Difluoro-4-hydroxybenzaldehyde
FD66257-013,5-Difluoro-4-hydroxybenzaldehyde
420847-012,6-Difluoro-4-hydroxybenzaldehyde
419659-012,3-Difluoro-4-hydroxybenzaldehyde
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