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4,6-Dichloro-m-cresol

CAT: 0013-GTR19224132-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224132-01Size:100 mg
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Description
4,6-Dichloro-m-cresol is a chlorinated phenolic compound with recognized bioactivity. It serves as a research chemical in antimicrobial studies and has been utilized in both in vitro assays and in vivo models to investigate its disinfectant and preservative properties.
CAS Number
1124-07-8
Smiles
Cc1cc (O) c (Cl) cc1Cl
Molecular Formula
C7H6Cl2O
Molecular Weight
177.03
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4,6-Dichloro-m-cresol
CAS Number1124-07-8
PubChem CID70757
IUPAC Name2,4-dichloro-5-methylphenol
Molecular FormulaC7H6Cl2O
Molecular Weight177.02
XLogP3.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity118
SMILES
CC1=CC(=C(C=C1Cl)Cl)O
InChI
InChI=1S/C7H6Cl2O/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3
InChIKey
NDCNJVOXMCCKBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Dichloro-m-cresol
CAS: 1124-07-8
CID: 70757
Formula: C7H6Cl2O
MW: 177.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.02
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass175.9795702
Monoisotopic Mass175.9795702
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity118
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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