| CAS Number | 882689-88-5 |
| Catalog Number | AG004AA8(AGN-PC-04PSD3) |
| Chemical Name | (4-Bromo-2-fluorophenyl)(pyrrolidin-1-yl)methanone |
| IUPAC Name | (4-bromo-2-fluorophenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C11H11BrFNO/c12-8-3-4-9(10(13)7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2 |
| InChI Key | PKLITRNXVHIMJL-UHFFFAOYSA-N |
| MDL Number | MFCD09950408 |
| Molecular Formula | C11H11BrFNO |
| Molecular Weight | 272.1135 |
| SMILES | Brc1ccc(c(c1)F)C(=O)N1CCCC1 |
| Synonyms | 1-[(4-Bromo-2-fluorophenyl)carbonyl]pyrrolidine,
882689-88-5,
(4-bromo-2-fluorophenyl)(pyrrolidin-1-yl)methanone,
ACMC-209qs4,
SCHEMBL1424241,
CTK8B2551,
DTXSID50640975,
PKLITRNXVHIMJL-UHFFFAOYSA-N,
ANW-38978,
KM2593,
ZINC19518631,
AKOS000196255,
1-(4-bromo-2-fluorobenzoyl)pyrrolidine,
1-(4-bromo-2-fluorobenzoyl)-pyrrolidine,
CJ-16183,
TC-127723,
V8599,
Methanone, (4-bromo-2-fluorophenyl)-1-pyrrolidinyl-,
C11H11BrFNO,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.117g/mol |
| Monoisotopic Mass | 271.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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