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2,3,4-Trichlorophenol

CAT: 1299-RG-T180303-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-T180303-03Size:50 mg
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CAS Number
15950-66-0
Synonyms
2,3,4-trichlorophenol
Molecular Formula
C6H3Cl3O
Molecular Weight
197.45
Product Name Synonym
2,3,4-trichlorophenol

Chemical Information

2,3,4-Trichlorophenol

Trichlorophenol appears as solid crystals or flakes with a strong disinfectant odor. Sinks in water. (USCG, 1999)

CAS Number15950-66-0
PubChem CID27582
IUPAC Name2,3,4-trichlorophenol
Molecular FormulaC6H3Cl3O
Molecular Weight197.4
XLogP3.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
C1=CC(=C(C(=C1O)Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey
HSQFVBWFPBKHEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4-Trichlorophenol
CAS: 15950-66-0
CID: 27582
Formula: C6H3Cl3O
MW: 197.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass195.924948
Monoisotopic Mass195.924948
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
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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