| CAS Number | 941294-20-8 |
| Catalog Number | AG003BRD(AGN-PC-0570AT) |
| Chemical Name | 1-(3-Bromo-5-nitrobenzoyl)pyrrolidine |
| IUPAC Name | (3-bromo-5-nitrophenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C11H11BrN2O3/c12-9-5-8(6-10(7-9)14(16)17)11(15)13-3-1-2-4-13/h5-7H,1-4H2 |
| InChI Key | KKLWXHCGADWVNP-UHFFFAOYSA-N |
| MDL Number | MFCD09475861 |
| Molecular Formula | C11H11BrN2O3 |
| Molecular Weight | 299.1206 |
| SMILES | [O-][N+](C1=CC(C(N2CCCC2)=O)=CC(Br)=C1)=O |
| Synonyms | 941294-20-8,
(3-Bromo-5-nitrophenyl)(pyrrolidin-1-yl)methanone,
1-(3-Bromo-5-nitrobenzoyl)pyrrolidine,
ACMC-209rpa,
SCHEMBL3419895,
CTK5H5181,
DTXSID20650001,
ANW-40172,
MFCD09475861,
ZINC15021146,
AKOS015834298,
RTR-029420,
AJ-66868,
TR-029420,
ST24020370,
V9351,
B-5298,
Methanone, (3-bromo-5-nitrophenyl)-1-pyrrolidinyl-,
I01-11007,
C11H11BrN2O3,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.124g/mol |
| Monoisotopic Mass | 297.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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