1-(3,4-Difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid - CAS 496941-62-9
Catalog: |
BB067590 |
Product Name: |
1-(3,4-Difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
CAS: |
496941-62-9 |
Synonyms: |
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid; 1-(3,4-difluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid |
IUPAC Name: | 1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(3,4-Difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
Molecular Weight: | 241.19 |
Molecular Formula: | C11H9F2NO3 |
Canonical SMILES: | C1C(CN(C1=O)C2=CC(=C(C=C2)F)F)C(=O)O |
InChI: | InChI=1S/C11H9F2NO3/c12-8-2-1-7(4-9(8)13)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17) |
InChI Key: | ZONVRPYTUSSRDE-UHFFFAOYSA-N |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.05504947 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.05504947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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