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Bupropion-d9 Hydrochloride

CAS No.:
1189725-26-5
Catalog Number:
AG008SRA
Molecular Formula:
C13H10Cl2D9NO
Molecular Weight:
285.2575
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Product Description
Catalog Number:
AG008SRA
Chemical Name:
Bupropion-d9 Hydrochloride
CAS Number:
1189725-26-5
Molecular Formula:
C13H10Cl2D9NO
Molecular Weight:
285.2575
MDL Number:
MFCD08063410
IUPAC Name:
1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one;hydrochloride
InChI:
InChI=1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H/i2D3,3D3,4D3;
InChI Key:
HEYVINCGKDONRU-WWMMTMLWSA-N
SMILES:
Clc1cccc(c1)C(=O)C(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
9  
Molecular Weight:
285.256g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties