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4- (3,5-Dichlorophenyl) benzaldehyde

CAT: 0024-sc-284019Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-284019Size:250 mg
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CAS Number
221018-04-8

Chemical Information

4-(3,5-Dichlorophenyl)benzaldehyde
CAS Number221018-04-8
PubChem CID2758154
IUPAC Name4-(3,5-dichlorophenyl)benzaldehyde
Molecular FormulaC13H8Cl2O
Molecular Weight251.10
XLogP4.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity226
SMILES
C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2O/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-8H
InChIKey
YEFGGURFOJFIMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3,5-Dichlorophenyl)benzaldehyde
CAS: 221018-04-8
CID: 2758154
Formula: C13H8Cl2O
MW: 251.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight251.10
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass249.9952203
Monoisotopic Mass249.9952203
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity226
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