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Chloroxylenol 5g

CAT: 0628-A16004-5000Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0628-A16004-5000Size:5000 mg
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CAS Number
88-04-0

Chemical Information

4-Chloro-3,5-dimethylphenol

4-chloro-3,5-dimethylphenol is a member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores. It has a role as a molluscicide, an antiseptic drug and a disinfectant. It is a member of phenols and a member of monochlorobenzenes. It is functionally related to a 3,5-xylenol.

CAS Number88-04-0
PubChem CID2723
IUPAC Name4-chloro-3,5-dimethylphenol
Molecular FormulaC8H9ClO
Molecular Weight156.61
XLogP2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity104
SMILES
CC1=CC(=CC(=C1Cl)C)O
InChI
InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChIKey
OSDLLIBGSJNGJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-3,5-dimethylphenol
CAS: 88-04-0
CID: 2723
Formula: C8H9ClO
MW: 156.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.61
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass156.0341926
Monoisotopic Mass156.0341926
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity104
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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