| CAS Number | 1017427-72-3 |
| Catalog Number | AG019VFY |
| Chemical Name | 1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H10BrNO3/c12-7-2-1-3-8(6-7)13-5-4-9(10(13)14)11(15)16/h1-3,6,9H,4-5H2,(H,15,16) |
| InChI Key | IATZMARXQCZWSG-UHFFFAOYSA-N |
| MDL Number | MFCD09803028 |
| Molecular Formula | C11H10BrNO3 |
| Molecular Weight | 284.1060 |
| SMILES | OC(C1C(=O)N(C2=CC(Br)=CC=C2)CC1)=O |
| Synonyms | 1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid,
1017427-72-3,
AC1Q74KL,
CTK7I9922,
AKOS000163929,
AKOS016902863,
MCULE-5112833391,
NE24040,
EN300-45140,
1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid, AldrichCPR,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number