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3,4,4'-Trichlorobenzophenone

CAT: 0024-sc-322736Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-322736Size:5 g
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CAS Number
33093-42-4

Chemical Information

3,4,4'-Trichlorobenzophenone
CAS Number33093-42-4
PubChem CID587183
IUPAC Name(4-chlorophenyl)-(3,4-dichlorophenyl)methanone
Molecular FormulaC13H7Cl3O
Molecular Weight285.5
XLogP5.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity274
SMILES
C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl3O/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7H
InChIKey
WGEYEANIOWFMGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,4'-Trichlorobenzophenone
CAS: 33093-42-4
CID: 587183
Formula: C13H7Cl3O
MW: 285.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.5
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass283.956248
Monoisotopic Mass283.956248
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity274
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
OR10459283,4,4'-Trichlorobenzophenone
OR11382-Hydroxy-2',3,5-trichlorobenzophenone
B810001Butyric Anhydride-3,3,3',3',4,4,4,4',4',4'-d10
TRC-P227543-100MG3,3,4,4,4-Pentafluorobutylamine
TRC-H591292-25MGDL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
TRC-H591362-5MGL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
TRC-H591292-250MGDL-Homocystine-3,3,3',3',4,4,4',4'-d8
PC4503894-Bromo-3,3,4,4-tetrafluorobutyl 2,2,3,3,4,4,4-heptafluorobutyl carbonate
PC1074264- (4-Bromo-3,3,4,4-tetrafluorobutoxy) phenol
PC1074244- (4-Bromo-3,3,4,4-tetrafluorobutoxy) benzonitrile

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