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Home Halogens 3-bromo-1-(3-chlorophenyl)pyrrolidin-2-one

3-bromo-1-(3-chlorophenyl)pyrrolidin-2-one

CAS No.:
804555-01-9
Catalog Number:
AG019YCO
Molecular Formula:
C10H9BrClNO
Molecular Weight:
274.5416
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Product Description
Catalog Number:
AG019YCO
Chemical Name:
3-bromo-1-(3-chlorophenyl)pyrrolidin-2-one
CAS Number:
804555-01-9
Molecular Formula:
C10H9BrClNO
Molecular Weight:
274.5416
MDL Number:
MFCD18886480
IUPAC Name:
3-bromo-1-(3-chlorophenyl)pyrrolidin-2-one
InChI:
InChI=1S/C10H9BrClNO/c11-9-4-5-13(10(9)14)8-3-1-2-7(12)6-8/h1-3,6,9H,4-5H2
InChI Key:
UGZCVJHTCSFIKL-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1CCC(C1=O)Br
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.956g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.542g/mol
Monoisotopic Mass:
272.956g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
(3RS)-S-[1-(3-Chloro-phen-yl)-2-oxopyr-roli-din-3-yl]thio-uronium bromide. Acta crystallographica. Section E, Structure reports online 20090201
(3RS)-S-[1-(3-Chloro-phen-yl)-2-oxopyr-rolidin-3-yl]-N,N'-dimethyl-thio-uronium bromide. Acta crystallographica. Section E, Structure reports online 20090201
Properties