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5- (2,4-Dichlorophenyl) furfural

CAT: 0024-sc-233144Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-233144Size:1 g
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CAS Number
56300-69-7

Chemical Information

5-(2,4-Dichlorophenyl)-2-furaldehyde
CAS Number56300-69-7
PubChem CID674998
IUPAC Name5-(2,4-dichlorophenyl)furan-2-carbaldehyde
Molecular FormulaC11H6Cl2O2
Molecular Weight241.07
XLogP3.7
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity235
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=CC=C(O2)C=O
InChI
InChI=1S/C11H6Cl2O2/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-6H
InChIKey
WTXWLFKNQYWFPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-Dichlorophenyl)-2-furaldehyde
CAS: 56300-69-7
CID: 674998
Formula: C11H6Cl2O2
MW: 241.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight241.07
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass239.9744848
Monoisotopic Mass239.9744848
Topological Polar Surface Area30.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity235
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