| CAS Number | 1355247-07-2 |
| Catalog Number | AG006YUR(AGN-PC-0J2C3X) |
| Chemical Name | 1-[(2-Bromo-6-fluorophenyl)methyl]pyrrolidine |
| IUPAC Name | 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine |
| InChI | InChI=1S/C11H13BrFN/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h3-5H,1-2,6-8H2 |
| InChI Key | NVOMRWKMVDLILJ-UHFFFAOYSA-N |
| MDL Number | MFCD21333052 |
| Molecular Formula | C11H13BrFN |
| Molecular Weight | 258.1300 |
| SMILES | c1(cccc(c1CN1CCCC1)Br)F |
| Synonyms | 1-[(2-Bromo-6-fluorophenyl)methyl]pyrrolidine,
1355247-07-2,
ACMC-209c1e,
CTK8B0368,
DTXSID90742745,
ANW-19872,
MFCD21333052,
ZINC85476855,
TC-108617,
Z9956,
K-4295,
C11H13BrFN,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number