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3,5-Dichlorosalicylaldehyde

CAT: 0572-TRC-D432310-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D432310-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90-60-8
Synonyms
3,5-Dichloro-2-hydroxybenzaldehyde; 2,4-Dichloro-6-formylphenol2-Hydroxy-3,5-dichlorobenzaldehyde
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Oc1c(Cl)cc(Cl)cc1C=O
Molecular Formula
C7H4Cl2O2
Molecular Weight
191.01
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,5-Dichlorosalicylaldehyde
CAS Number90-60-8
PubChem CID66660
IUPAC Name3,5-dichloro-2-hydroxybenzaldehyde
Molecular FormulaC7H4Cl2O2
Molecular Weight191.01
XLogP2.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
C1=C(C=C(C(=C1C=O)O)Cl)Cl
InChI
InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey
FABVMBDCVAJXMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichlorosalicylaldehyde
CAS: 90-60-8
CID: 66660
Formula: C7H4Cl2O2
MW: 191.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.01
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass189.9588348
Monoisotopic Mass189.9588348
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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FD29080-013,5-Dichlorosalicylaldehyde
069865-013:5-DiChlorosalicylaldehyde
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426878-013,3',5,5'-Tetraisopropyldiphenoquinone
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