| CAS Number | 1017458-55-7 |
| Catalog Number | AG01ABP0(AGN-PC-0WO0MY) |
| Chemical Name | 1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonitrile |
| IUPAC Name | 1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonitrile |
| InChI | InChI=1S/C11H9BrN2O/c12-9-1-3-10(4-2-9)14-7-8(6-13)5-11(14)15/h1-4,8H,5,7H2 |
| InChI Key | AYXHRDQXBUAHSA-UHFFFAOYSA-N |
| MDL Number | MFCD10004143 |
| Molecular Formula | C11H9BrN2O |
| Molecular Weight | 265.106 |
| SMILES | BrC1=CC=C(N2C(=O)CC(C#N)C2)C=C1 |
| Synonyms | 1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonitrile,
1017458-55-7,
AKOS013530134,
NE54160,
EN300-135969,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.11g/mol |
| Monoisotopic Mass | 263.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number