| CAS Number | 1345471-64-8 |
| Catalog Number | AG009X3B(AGN-PC-0WAA0Y) |
| Chemical Name | 1-[(5-Bromo-2-fluorophenyl)methyl]pyrrolidine |
| IUPAC Name | 1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine |
| InChI | InChI=1S/C11H13BrFN/c12-10-3-4-11(13)9(7-10)8-14-5-1-2-6-14/h3-4,7H,1-2,5-6,8H2 |
| InChI Key | VPDSQMHNVXFRSA-UHFFFAOYSA-N |
| MDL Number | MFCD20441949 |
| Molecular Formula | C11H13BrFN |
| Molecular Weight | 258.1300 |
| SMILES | c1(c(ccc(c1)Br)F)CN1CCCC1 |
| Synonyms | 1345471-64-8,
1-(5-bromo-2-fluorobenzyl)pyrrolidine,
4-Bromo-1-fluoro-pyrrolidinobenzene,
1-[(5-Bromo-2-fluorophenyl)methyl]pyrrolidine,
MFCD20441949,
ZINC55043095,
AKOS025286424,
AM86545,
Q-8534,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.134g/mol |
| Monoisotopic Mass | 257.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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