Home Halogens 2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
1409431-63-5
Catalog Number:
AG01A2WF
Molecular Formula:
C12H11ClFNO3
Molecular Weight:
271.6720
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Product Description
Catalog Number:
AG01A2WF
Chemical Name:
2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
1409431-63-5
Molecular Formula:
C12H11ClFNO3
Molecular Weight:
271.6720
MDL Number:
MFCD19416348
IUPAC Name:
2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H11ClFNO3/c1-15-10(16)5-7(12(17)18)11(15)6-2-3-8(13)9(14)4-6/h2-4,7,11H,5H2,1H3,(H,17,18)
InChI Key:
GQIGTTZARNEUHS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1c1ccc(c(c1)F)Cl)C
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.041g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.672g/mol
Monoisotopic Mass:
271.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties