| CAS Number | 923130-78-3 |
| Catalog Number | AG00GUHD(AGN-PC-0WNLLA) |
| Chemical Name | 1-(2-Bromophenyl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H10BrNO3/c12-8-3-1-2-4-9(8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16) |
| InChI Key | PQRRNWXQURZXGP-UHFFFAOYSA-N |
| MDL Number | MFCD08445202 |
| Molecular Formula | C11H10BrNO3 |
| Molecular Weight | 284.1060 |
| SMILES | BrC1=C(C=CC=C1)N1CC(CC1=O)C(=O)O |
| Synonyms | 1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid,
923130-78-3,
AC1Q74O9,
CTK7I6576,
ALBB-015623,
BBL022590,
MFCD08445202,
SBB083944,
STL263235,
AKOS000126945,
AKOS016042115,
MCULE-8502815802,
V9160,
EN300-31492,
J-502959,
1-(2-bromophenyl)-5-oxo-3-pyrrolidinecarboxylic acid,
3-pyrrolidinecarboxylic acid, 1-(2-bromophenyl)-5-oxo-,
Z228589462,
C11H10BrNO3,
T0138,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.109g/mol |
| Monoisotopic Mass | 282.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number