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3,4-Dichlorophenylacetone

CAT: 0013-GTR19252189-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252189-01Size:200 mg
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Description
3,4-Dichlorophenylacetone
CAS Number
6097-32-1
Smiles
CC (=O) Cc1ccc (Cl) c (Cl) c1
Molecular Formula
C9H8Cl2O
Molecular Weight
203.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3',4'-Dichloropropiophenone
CAS Number6097-32-1
PubChem CID81060
IUPAC Name1-(3,4-dichlorophenyl)propan-2-one
Molecular FormulaC9H8Cl2O
Molecular Weight203.06
XLogP3.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity170
SMILES
CC(=O)CC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5H,4H2,1H3
InChIKey
AJUAASWQUWIMHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',4'-Dichloropropiophenone
CAS: 6097-32-1
CID: 81060
Formula: C9H8Cl2O
MW: 203.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.06
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass201.9952203
Monoisotopic Mass201.9952203
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity170
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
sc-4702813',4'-Dichlorophenylacetone
OR1062442-013,4-Dichlorophenylacetone
sc-4876382,4-Dichlorophenylacetone
232368-013',4'-Dichlorophenylacetone ≥98.5% (GC)
sc-4876412,6-Dichlorophenylacetone
B810001Butyric Anhydride-3,3,3',3',4,4,4,4',4',4'-d10
PC496243,3,4,4,4-Pentafluorobutylamine
HY-W009390S-01DL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
sc-480128ADL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8
TRC-H591292-250MGDL-Homocystine-3,3,3',3',4,4,4',4'-d8

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