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2,3-Difluoro-4-hydroxybenzaldehyde

CAT: 0127-PC8952-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-PC8952-01Size:500 mg
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CAS Number
676500-39-3
MDL Number
MFCD08235194
Purity
97%
Smiles
Oc1ccc(C=O)c(F)c1F

Chemical Information

2,3-Difluoro-4-hydroxybenzaldehyde
CAS Number676500-39-3
PubChem CID23107063
IUPAC Name2,3-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
Complexity151
SMILES
C1=CC(=C(C(=C1C=O)F)F)O
InChI
InChI=1S/C7H4F2O2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-3,11H
InChIKey
KTGPDDPEVRJSFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Difluoro-4-hydroxybenzaldehyde
CAS: 676500-39-3
CID: 23107063
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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