| CAS Number | 1248020-27-0 |
| Catalog Number | AG01BET6(AGN-PC-0WOQH9) |
| Chemical Name | 3-Amino-1-(3-bromophenyl)pyrrolidin-2-one |
| IUPAC Name | 3-amino-1-(3-bromophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H11BrN2O/c11-7-2-1-3-8(6-7)13-5-4-9(12)10(13)14/h1-3,6,9H,4-5,12H2 |
| InChI Key | CRPVKUNCTUOQFQ-UHFFFAOYSA-N |
| MDL Number | MFCD14689751 |
| Molecular Formula | C10H11BrN2O |
| Molecular Weight | 255.1111 |
| SMILES | NC1C(=O)N(C2=CC(Br)=CC=C2)CC1 |
| Synonyms | 3-amino-1-(3-bromophenyl)pyrrolidin-2-one,
1248020-27-0,
AKOS010814521,
NE24226,
A1-12883,
Z1889902516,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.115g/mol |
| Monoisotopic Mass | 254.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number