| CAS Number | 1119450-19-9 |
| Catalog Number | AG008VKF(AGN-PC-0WB5QJ) |
| Chemical Name | 1-(2-Bromobutanoyl)pyrrolidine |
| IUPAC Name | 2-bromo-1-pyrrolidin-1-ylbutan-1-one |
| InChI | InChI=1S/C8H14BrNO/c1-2-7(9)8(11)10-5-3-4-6-10/h7H,2-6H2,1H3 |
| InChI Key | WWXPVFHKDNSIJF-UHFFFAOYSA-N |
| MDL Number | MFCD03030369 |
| Molecular Formula | C8H14BrNO |
| Molecular Weight | 220.1069 |
| SMILES | C(C(CC)Br)(=O)N1CCCC1 |
| Synonyms | 1-(2-bromobutanoyl)pyrrolidine,
1119450-19-9,
2-bromo-1-(pyrrolidin-1-yl)butan-1-one,
CTK6C7080,
DTXSID10649287,
ALBB-007114,
8849AC,
BBL005240,
MFCD03030369,
STK504303,
AKOS000264686,
AKOS016345468,
MCULE-4992309721,
RTR-059495,
AB0223971,
TR-059495,
W-9995,
C8H14BrNO,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.11g/mol |
| Monoisotopic Mass | 219.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number