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2,4,5-Trichlorophenacylidene Chloride

CAT: 0572-TRC-T784230-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T784230-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1203-86-7
Synonyms
2,4,5-Trichlorophenacylidene Chloride
Hazard Statement
No Data Available
Smiles
ClC(Cl)C(=O)c1cc(Cl)c(Cl)cc1Cl
Molecular Formula
C8 H3 Cl5 O
Molecular Weight
292.374
InChI
InChI=1S/C8H3Cl5O/c9-4-2-6(11)5(10)1-3(4)7(14)8(12)13/h1-2,8H
Additionnal Information
IUPAC name: 2,2-dichloro-1-(2,4,5-trichlorophenyl)ethanone
Shipping Conditions
Room Temperature

Chemical Information

2,2,2',4',5'-Pentachloroacetophenone
CAS Number1203-86-7
PubChem CID14554
IUPAC Name2,2-dichloro-1-(2,4,5-trichlorophenyl)ethanone
Molecular FormulaC8H3Cl5O
Molecular Weight292.4
XLogP4.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity220
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C8H3Cl5O/c9-4-2-6(11)5(10)1-3(4)7(14)8(12)13/h1-2,8H
InChIKey
WKJXVVFAALGBOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,2',4',5'-Pentachloroacetophenone
CAS: 1203-86-7
CID: 14554
Formula: C8H3Cl5O
MW: 292.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.4
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass291.859703
Monoisotopic Mass289.862653
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity220
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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