Home Halogens 2-(4-chloro-3-fluorophenyl)-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid

2-(4-chloro-3-fluorophenyl)-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid

CAS No.:
1432679-33-8
Catalog Number:
AG01A4V2
Molecular Formula:
C14H15ClFNO3
Molecular Weight:
299.7252
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Product Description
Catalog Number:
AG01A4V2
Chemical Name:
2-(4-chloro-3-fluorophenyl)-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CAS Number:
1432679-33-8
Molecular Formula:
C14H15ClFNO3
Molecular Weight:
299.7252
MDL Number:
MFCD24369139
IUPAC Name:
2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C14H15ClFNO3/c1-7(2)17-12(18)6-9(14(19)20)13(17)8-3-4-10(15)11(16)5-8/h3-5,7,9,13H,6H2,1-2H3,(H,19,20)
InChI Key:
VTEXMCRGRMAARS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1c1ccc(c(c1)F)Cl)C(C)C
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.072g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.726g/mol
Monoisotopic Mass:
299.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties