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3,5-Dichloro-4-hydroxybenzaldehyde

CAT: 0127-OR27469-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR27469-01Size:1 g
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CAS Number
2314-36-5
Synonyms
2,6-Dichloro-4-formylphenol
MDL Number
MFCD00017605
Purity
=95%
Smiles
Oc1c(Cl)cc(C=O)cc1Cl

Chemical Information

3,5-Dichloro-4-hydroxybenzaldehyde
CAS Number2314-36-5
PubChem CID16839
IUPAC Name3,5-dichloro-4-hydroxybenzaldehyde
Molecular FormulaC7H4Cl2O2
Molecular Weight191.01
XLogP2.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C1=C(C=C(C(=C1Cl)O)Cl)C=O
InChI
InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
LIYGCLJYTHRBQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichloro-4-hydroxybenzaldehyde
CAS: 2314-36-5
CID: 16839
Formula: C7H4Cl2O2
MW: 191.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.01
XLogP32.5
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
Complexity139
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