| CAS Number | 213978-36-0 |
| Catalog Number | AG019K7X(AGN-PC-0WO8UW) |
| Chemical Name | 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile |
| IUPAC Name | 4-(3-bromo-2-oxopyrrolidin-1-yl)benzonitrile |
| InChI | InChI=1S/C11H9BrN2O/c12-10-5-6-14(11(10)15)9-3-1-8(7-13)2-4-9/h1-4,10H,5-6H2 |
| InChI Key | WPIZASJVDDJWKA-UHFFFAOYSA-N |
| MDL Number | MFCD01940901 |
| Molecular Formula | C11H9BrN2O |
| Molecular Weight | 265.106 |
| SMILES | N#CC1=CC=C(N2C(C(Br)CC2)=O)C=C1 |
| Synonyms | 4-(3-bromo-2-oxopyrrolidin-1-yl)benzonitrile,
213978-36-0,
EN300-25879,
3-bromo-1-(4-cyanophenyl)pyrrolidin-2-one,
SCHEMBL7800632,
WPIZASJVDDJWKA-UHFFFAOYSA-N,
AKOS009104995,
FCH5135422,
NE12010,
4-(2-Oxo-3-bromopyrrolizino)benzonitrile,
BBV-37836064,
AC1Q26FY,
CID9860086,
4-(3-bromo-2-oxo-pyrrolidin-1-yl)benzonitrile,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.98983g/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 | 263.98983g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number