| CAS Number | 951884-12-1 |
| Catalog Number | AG003BLU(AGN-PC-04PRBW) |
| Chemical Name | 2-(Pyrrolidine-1-carbonyl)-4-fluoro-1-bromobenzene |
| IUPAC Name | (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C11H11BrFNO/c12-10-4-3-8(13)7-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2 |
| InChI Key | VLSARSUANLDDJO-UHFFFAOYSA-N |
| MDL Number | MFCD09800909 |
| Molecular Formula | C11H11BrFNO |
| Molecular Weight | 272.1135 |
| SMILES | O=C(c1cc(F)ccc1Br)N1CCCC1 |
| Synonyms | 951884-12-1,
(2-Bromo-5-fluorophenyl)(pyrrolidin-1-yl)methanone,
2-(Pyrrolidine-1-carbonyl)-4-fluoro-1-bromobenzene,
1-(2-Bromo-5-fluorobenzoyl)pyrrolidine,
ACMC-209rvt,
CTK5H7465,
DTXSID90640959,
ANW-40407,
MFCD09800909,
ZINC16159686,
AKOS000192414,
RTR-029684,
AJ-68735,
TR-029684,
V9522,
B-4120,
I01-11778,
methanone,
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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number