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3,5,6-Trichlorosalicylaldehyde

CAT: 0572-TRC-T774370-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T774370-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23602-65-5
Synonyms
2,3,5-Trichloro-6-hydroxybenzaldehyde (ACI); Salicylaldehyde, 3,5,6-trichloro- (8CI); 2-Hydroxy-3,5,6-trichlorobenzaldehyde; 3,5,6-Trichloro-2-hydroxybenzaldehyde; 3,5,6-Trichlorosalicylaldehyde
Hazard Statement
No Data Available
Smiles
ClC1=C(Cl)C(C=O)=C(O)C(Cl)=C1
Molecular Formula
C7H3Cl3O2
Molecular Weight
225.46
InChI
InChI=1S/C7H3Cl3O2/c8-4-1-5(9)7(12)3(2-11)6(4)10/h1-2,12H
Additionnal Information
IUPAC name: 2,3,5-trichloro-6-hydroxybenzaldehyde
Shipping Conditions
Room Temperature

Chemical Information

2,3,5-Trichloro-6-hydroxybenzaldehyde
CAS Number23602-65-5
PubChem CID528387
IUPAC Name2,3,5-trichloro-6-hydroxybenzaldehyde
Molecular FormulaC7H3Cl3O2
Molecular Weight225.5
XLogP3.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity176
SMILES
C1=C(C(=C(C(=C1Cl)Cl)C=O)O)Cl
InChI
InChI=1S/C7H3Cl3O2/c8-4-1-5(9)7(12)3(2-11)6(4)10/h1-2,12H
InChIKey
RYRVYDUIKGEEDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,5-Trichloro-6-hydroxybenzaldehyde
CAS: 23602-65-5
CID: 528387
Formula: C7H3Cl3O2
MW: 225.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass223.919862
Monoisotopic Mass223.919862
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity176
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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