| CAS Number | 145764-04-1 |
| Catalog Number | AG01ELD7(AGN-PC-0O36E8) |
| Chemical Name | 1-[(4-Bromophenyl)carbonyl]pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-(4-bromobenzoyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C12H12BrNO3/c13-9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h3-6,10H,1-2,7H2,(H,16,17) |
| InChI Key | URXUXNFNMXRTAJ-UHFFFAOYSA-N |
| MDL Number | MFCD31381430 |
| Molecular Formula | C12H12BrNO3 |
| Molecular Weight | 298.1326 |
| SMILES | OC(=O)C1CCCN1C(=O)c1ccc(cc1)Br |
| Synonyms | 1-(4-BROMOBENZOYL)PYRROLIDINE-2-CARBOXYLIC ACID,
1-[(4-bromophenyl)carbonyl]pyrrolidine-2-carboxylic acid,
AC1Q74J5,
CTK7I9608,
AKOS000127843,
AKOS017271968,
NE24609,
NCGC00189414-01,
EN300-61792,
Z85890941,
145764-04-1,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.136g/mol |
| Monoisotopic Mass | 297g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number