| CAS Number | 1260675-29-3 |
| Catalog Number | AG01BHF2(AGN-PC-0WOW6G) |
| Chemical Name | 2-(4-Bromo-3-methylphenyl)pyrrolidine |
| IUPAC Name | 2-(4-bromo-3-methylphenyl)pyrrolidine |
| InChI | InChI=1S/C11H14BrN/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3 |
| InChI Key | JFLBFTBAXZNXHS-UHFFFAOYSA-N |
| MDL Number | MFCD07357467 |
| Molecular Formula | C11H14BrN |
| Molecular Weight | 240.1396 |
| SMILES | CC1=C(Br)C=CC(C2NCCC2)=C1 |
| Synonyms | 2-(4-BROMO-3-METHYLPHENYL)PYRROLIDINE,
1260675-29-3,
AKOS015934743,
SC-36248,
(R)-2-(4-BROMO-3-METHYLPHENYL)PYRROLIDINE,
(S)-2-(4-BROMO-3-METHYLPHENYL)PYRROLIDINE,
Z1966398116,
(2R)-2-(4-BROMO-3-METHYLPHENYL)PYRROLIDINE,
(2S)-2-(4-BROMO-3-METHYLPHENYL)PYRROLIDINE,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.144g/mol |
| Monoisotopic Mass | 239.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number