Home Halogens 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-2-one

3-bromo-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-2-one

CAS No.:
1339089-38-1
Catalog Number:
AG01ALFC
Molecular Formula:
C12H13BrFNO
Molecular Weight:
286.1401
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Product Description
Catalog Number:
AG01ALFC
Chemical Name:
3-bromo-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CAS Number:
1339089-38-1
Molecular Formula:
C12H13BrFNO
Molecular Weight:
286.1401
MDL Number:
MFCD18886765
IUPAC Name:
3-bromo-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
InChI:
InChI=1S/C12H13BrFNO/c1-8(9-2-4-10(14)5-3-9)15-7-6-11(13)12(15)16/h2-5,8,11H,6-7H2,1H3
InChI Key:
ZJANZAHNNZICIN-UHFFFAOYSA-N
SMILES:
CC(N1CCC(C1=O)Br)c1ccc(cc1)F
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.016g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.144g/mol
Monoisotopic Mass:
285.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties