| CAS Number | 1217694-15-9 |
| Catalog Number | AG0015WM(AGN-PC-0WALPY) |
| Chemical Name | (S)-2-(3-Bromophenyl)Pyrrolidine |
| IUPAC Name | (2S)-2-(3-bromophenyl)pyrrolidine |
| InChI | InChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2/t10-/m0/s1 |
| InChI Key | FIRVFEHVSIYTIO-JTQLQIEISA-N |
| MDL Number | MFCD06762566 |
| Molecular Formula | C10H12BrN |
| Molecular Weight | 226.1130 |
| SMILES | Brc1cc(ccc1)[C@@H]1CCCN1 |
| Synonyms | (2S)-2-(3-bromophenyl)pyrrolidine,
1217694-15-9,
(S)-2-(3-Bromophenyl)pyrrolidine,
AMOT0555,
ZINC2582605,
AKOS015934493,
EBD3322361,
FCH1378261,
AK204267,
AS-63673,
Pyrrolidine, 2-(3-bromophenyl)-, (2S)-,
CS-0101646,
AC1ODYH7,
2-(3-bromophenyl)pyrrolidine,
CID7022836,
(2S)-2-(3-Bromophenyl)pyrrolidine HCl,
AJ-43107,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.01531g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.11g/mol |
| Monoisotopic Mass | 225.01531g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number