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4-Chloroguaiacol

CAT: 0931-T36594Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T36594Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16766-30-6
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
4-Chloroguaiaco (4-Chloro-2-methoxyphenol), a derivative of phenol, exhibits antimicrobial efficacy with minimum inhibitory concentrations (MICs) of 110 μg/mL against both Staphylococcus aureus and Escherichia coli [1].
Smiles
COC1=CC(Cl)=CC=C1O
Molecular Formula
C7H7ClO2
Molecular Weight
158.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Chloroguaiacol

environmental pollutant; structure in first source

CAS Number16766-30-6
PubChem CID28050
IUPAC Name4-chloro-2-methoxyphenol
Molecular FormulaC7H7ClO2
Molecular Weight158.58
XLogP1.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
COC1=C(C=CC(=C1)Cl)O
InChI
InChI=1S/C7H7ClO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKey
FVZQMMMRFNURSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloroguaiacol
CAS: 16766-30-6
CID: 28050
Formula: C7H7ClO2
MW: 158.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.58
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass158.0134572
Monoisotopic Mass158.0134572
Topological Polar Surface Area29.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
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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