Home Carboxys 1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
63675-02-5
Catalog Number:
AG01A5FL
Molecular Formula:
C12H12FNO3
Molecular Weight:
237.2270
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Product Description
Catalog Number:
AG01A5FL
Chemical Name:
1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
63675-02-5
Molecular Formula:
C12H12FNO3
Molecular Weight:
237.2270
MDL Number:
MFCD17128925
IUPAC Name:
1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H12FNO3/c1-7-4-9(2-3-10(7)13)14-6-8(12(16)17)5-11(14)15/h2-4,8H,5-6H2,1H3,(H,16,17)
InChI Key:
UTSIKWMYNNYFSX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1)c1ccc(c(c1)C)F
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.23g/mol
Monoisotopic Mass:
237.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties