| CAS Number | 10006-67-4 |
| Catalog Number | AG0000SR(AGN-PC-064XJU) |
| Chemical Name | 1-(3,4-Dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(3,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H9Cl2NO3/c12-8-2-1-6(5-9(8)13)14-4-3-7(10(14)15)11(16)17/h1-2,5,7H,3-4H2,(H,16,17) |
| InChI Key | UZCXVOTUVYLHJI-UHFFFAOYSA-N |
| MDL Number | MFCD09803058 |
| Molecular Formula | C11H9Cl2NO3 |
| Molecular Weight | 274.1001 |
| SMILES | OC(C1C(=O)N(C2=CC(Cl)=C(Cl)C=C2)CC1)=O |
| Synonyms | 1-(3,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid,
10006-67-4,
3-Pyrrolidinecarboxylic acid, 1-(3,4-dichlorophenyl)-2-oxo-,
AC1Q74KM,
SCHEMBL3095656,
CTK0E0357,
DTXSID00479297,
AKOS000169240,
AKOS022203234,
MCULE-9834640325,
NE42201,
EN300-52789,
Z803129930,
N-(3,4-dichlorophenyl)-2-oxo-pyrrolidine-3-carboxylic acid,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.097g/mol |
| Monoisotopic Mass | 272.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number