| CAS Number | 1142194-39-5 |
| Catalog Number | AG000AUG(AGN-PC-0WD0NK) |
| Chemical Name | 1-(4-Bromopyridin-2-yl)pyrrolidin-2-one |
| IUPAC Name | 1-(4-bromopyridin-2-yl)pyrrolidin-2-one |
| InChI | InChI=1S/C9H9BrN2O/c10-7-3-4-11-8(6-7)12-5-1-2-9(12)13/h3-4,6H,1-2,5H2 |
| InChI Key | UVFXYTSNRWHLCC-UHFFFAOYSA-N |
| MDL Number | MFCD11869625 |
| Molecular Formula | C9H9BrN2O |
| Molecular Weight | 241.0846 |
| SMILES | BrC1C=CN=C(C=1)N1CCCC1=O |
| Synonyms | 1-(4-Bromopyridin-2-yl)pyrrolidin-2-one,
1142194-39-5,
ACMC-2099kr,
CTK8A9275,
DTXSID50671709,
ANW-16681,
MFCD11869625,
ZINC44118445,
AKOS015898158,
MB10329,
CJ-20414,
AJ-109195,
TC-105426,
FT-0729018,
ST24021103,
Z7508,
A-2990,
I11-667,
2-PYRROLIDINONE, 1-(4-BROMO-2-PYRIDINYL)-,
C9H9BrN2O,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.088g/mol |
| Monoisotopic Mass | 239.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number