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1-(3-Chlorophenyl)-2-hydroxy-1-propanone

CAT: 0572-TRC-C378500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C378500-100MGSize:100 mg
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CAS Number
152943-33-4
Synonyms
1-(3-Chlorophenyl)-2-hydroxy-1-propanone; Bupropion Hydrochloride Related Compound C (USP); 20U78; GI 270930X; Bupropion related; 1-(3-chlorophenyl)-2-hydroxy-1-propanone (20U78); Bupropion Related Compound C
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC(O)C(=O)c1cccc(Cl)c1
Molecular Formula
C9 H9 Cl O2
Molecular Weight
184.62
InChI
InChI=1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,11H,1H3
Additionnal Information
IUPAC name: 1-(3-chlorophenyl)-2-hydroxypropan-1-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(3-Chlorophenyl)-2-hydroxypropan-1-one
CAS Number152943-33-4
PubChem CID18323632
IUPAC Name1-(3-chlorophenyl)-2-hydroxypropan-1-one
Molecular FormulaC9H9ClO2
Molecular Weight184.62
XLogP2.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity170
SMILES
CC(C(=O)C1=CC(=CC=C1)Cl)O
InChI
InChI=1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,11H,1H3
InChIKey
PRVHLTNNKRCHGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Chlorophenyl)-2-hydroxypropan-1-one
CAS: 152943-33-4
CID: 18323632
Formula: C9H9ClO2
MW: 184.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.62
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass184.0291072
Monoisotopic Mass184.0291072
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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