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2,4,5-Trichlorophenol

CAT: 0203-34703-05Size: 500 gDry Ice: NoHazardous: Yes
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CAT#:0203-34703-05Size:500 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95-95-4
UN Code
2020
Purity
≧ 95.0% (GC)
Storage Conditions
Room Temperature
Grade
EP (Extra Pure Reagent)

Chemical Information

2,4,5-Trichlorophenol

2,4,5-trichlorophenol is a trichlorophenol carrying chloro groups at positions 2, 4 and 5.

CAS Number95-95-4
PubChem CID7271
IUPAC Name2,4,5-trichlorophenol
Molecular FormulaC6H3Cl3O
Molecular Weight197.4
XLogP3.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)O
InChI
InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey
LHJGJYXLEPZJPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trichlorophenol
CAS: 95-95-4
CID: 7271
Formula: C6H3Cl3O
MW: 197.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.4
XLogP33.7
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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Alternative Products

CatalogName
RM-C030522-012,4,5-Trichlorophenol
TRC-T774148-5MG2,4,5-Trichlorophenol-13C6
TRC-T774149-5MG2,4,5-Trichlorophenol-d2
TRC-T774585-1G3,4,5-Trichlorophenol
AAA082626-Iodo-2,4,5-trichlorophenol
sc-2335426-Bromo-2,4,5-trichlorophenol
sc-4750312,4,5-Trichlorophenol Sodium Salt
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