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3-Chlorosalicylaldehyde

CAT: 0024-sc-209581Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-209581Size:250 mg
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CAS Number
1927-94-2

Chemical Information

3-Chloro-2-hydroxybenzaldehyde
CAS Number1927-94-2
PubChem CID519651
IUPAC Name3-chloro-2-hydroxybenzaldehyde
Molecular FormulaC7H5ClO2
Molecular Weight156.56
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CC(=C(C(=C1)Cl)O)C=O
InChI
InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H
InChIKey
DOHOPUBZLWVZMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-2-hydroxybenzaldehyde
CAS: 1927-94-2
CID: 519651
Formula: C7H5ClO2
MW: 156.56
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight156.56
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass155.9978071
Monoisotopic Mass155.9978071
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
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