1-(2,4-Dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid - CAS 91064-23-2
Catalog: |
BB063034 |
Product Name: |
1-(2,4-Dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
CAS: |
91064-23-2 |
Synonyms: |
1-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
IUPAC Name: | 1-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(2,4-Dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
Molecular Weight: | 274.1 |
Molecular Formula: | C11H9Cl2NO3 |
Canonical SMILES: | C1C(CN(C1=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)O |
InChI: | InChI=1S/C11H9Cl2NO3/c12-7-1-2-9(8(13)4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17) |
InChI Key: | GOCPCJNONCMHLZ-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: | 272.9959485 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.9959485 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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