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Bupropion 3,5-Dichloro Impurity

CAT: 1596-AR-C04086-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C04086-01Size:10 Units
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CAS Number
1193779-48-4
Synonyms
5-Chloro Bupropion; 2- (tert-butylamino) -1- (3,5-dichlorophenyl) propan-1-one;2- (tert-butylamino) -3',5'-dichloropropiophenone; Bupropion Impurity 11?3,5-Chloro?;2- (tert-ButylaMino) -3',5'-chloropropiophenone hydrochloride; Bupropion 3',5'-Dichloro IMpurity;2- (tert-Butylamino) -3',5'-chloropropiophenone.
Molecular Formula
C13H17Cl2NO
Molecular Weight
274.19
API Name
Bupropion

Chemical Information

2-(Tert-butylamino)-1-(3,5-dichlorophenyl)propan-1-one
CAS Number1193779-48-4
PubChem CID44542511
IUPAC Name2-(tert-butylamino)-1-(3,5-dichlorophenyl)propan-1-one
Molecular FormulaC13H17Cl2NO
Molecular Weight274.18
XLogP3.8
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity265
SMILES
CC(C(=O)C1=CC(=CC(=C1)Cl)Cl)NC(C)(C)C
InChI
InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3
InChIKey
ZKFFJBXJJFDBJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Tert-butylamino)-1-(3,5-dichlorophenyl)propan-1-one
CAS: 1193779-48-4
CID: 44542511
Formula: C13H17Cl2NO
MW: 274.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.18
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass273.0687196
Monoisotopic Mass273.0687196
Topological Polar Surface Area29.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity265
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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Alternative Products

CatalogName
RM-B161611-01Bupropion 3',5'-Dichloro Impurity
RM-B161610-01Bupropion 3',4'-Dichloro Impurity
CS-EO-02633N-Nitroso Bupropion 3,5-Dichloro Impurity
CS-EO-02632N-Nitroso Bupropion 3,4-Dichloro Impurity
RM-B161633-01Bupropion Impurity 33
RM-B161637-01Bupropion Impurity 37
RM-B161632-01Bupropion Impurity 32
RM-B161620-01Bupropion Impurity T
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