1-(2,4-Difluorobenzyl)-5-oxopyrrolidine-3-carboxylic Acid; - CAS 1098340-12-5
Catalog: |
BB067603 |
Product Name: |
1-(2,4-Difluorobenzyl)-5-oxopyrrolidine-3-carboxylic Acid; |
CAS: |
1098340-12-5 |
Synonyms: |
1-(2,4-difluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid; 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid; 3-pyrrolidinecarboxylic acid, 1-[(2,4-difluorophenyl)methyl]-5-oxo- |
IUPAC Name: | 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(2,4-Difluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid |
Molecular Weight: | 255.22 |
Molecular Formula: | C12H11F2NO3 |
Canonical SMILES: | C1C(CN(C1=O)CC2=C(C=C(C=C2)F)F)C(=O)O |
InChI: | InChI=1S/C12H11F2NO3/c13-9-2-1-7(10(14)4-9)5-15-6-8(12(17)18)3-11(15)16/h1-2,4,8H,3,5-6H2,(H,17,18) |
InChI Key: | HIELWKUFWOBERF-UHFFFAOYSA-N |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.07069954 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.07069954 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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