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2,4'-Dichlorobenzophenone

CAT: 0013-GTR19254173-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254173-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2,4'-Dichlorobenzophenone, with CAS No. 85-29-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 2,4'-Dichlorobenzophenone provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
85-29-0
Product Name Alternative
2,4'Dichlorobenzophenone, 2,4' Dichlorobenzophenone
Purity
99.73% (May vary between batches)
Smiles
Clc1ccc (cc1) C (=O) c1ccccc1Cl
Molecular Formula
C13H8Cl2O
Molecular Weight
251.11
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

2,4'-Dichlorobenzophenone
CAS Number85-29-0
PubChem CID66558
IUPAC Name(2-chlorophenyl)-(4-chlorophenyl)methanone
Molecular FormulaC13H8Cl2O
Molecular Weight251.10
XLogP4.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity246
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
InChIKey
YXMYPHLWXBXNFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4'-Dichlorobenzophenone
CAS: 85-29-0
CID: 66558
Formula: C13H8Cl2O
MW: 251.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.10
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass249.9952203
Monoisotopic Mass249.9952203
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity246
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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TRC-D431975-10G2,4'-Dichlorobenzophenone
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230946-012,4'-Dichlorobenzophenone 99+%
274259-014,4'-Dichlorobenzophenone
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