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P-Chlorophenol pure, 98%

CAT: 0565-74230Size: 500 gDry Ice: NoHazardous: No
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CAT#:0565-74230Size:500 g
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Description
Part B
CAS Number
106-48-9
UN Code
UN No.: 2020, IMCO Class No.: 6.1, Packing Group: III
Storage Temperature
Room Temperature

Chemical Information

4-Chlorophenol

4-chlorophenol is a monochlorophenol substituted at the pare position by a chlorine atom.

CAS Number106-48-9
PubChem CID4684
IUPAC Name4-chlorophenol
Molecular FormulaC6H5ClO
Molecular Weight128.55
XLogP2.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity66
SMILES
C1=CC(=CC=C1O)Cl
InChI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorophenol
CAS: 106-48-9
CID: 4684
Formula: C6H5ClO
MW: 128.55
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight128.55
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass128.0028925
Monoisotopic Mass128.0028925
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.9
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