| CAS Number | 2061996-90-3 |
| Catalog Number | AG01DDQ7 |
| Chemical Name | (S)-tert-Butyl 2-(3-bromophenyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (2S)-2-(3-bromophenyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1 |
| InChI Key | JNCUUJFKWXBYTB-ZDUSSCGKSA-N |
| MDL Number | MFCD30609559 |
| Molecular Formula | C15H20BrNO2 |
| Molecular Weight | 326.2288 |
| SMILES | O=C(N1[C@H](C2=CC=CC(Br)=C2)CCC1)OC(C)(C)C |
| Synonyms | (S)-tert-Butyl 2-(3-bromophenyl)pyrrolidine-1-carboxylate,
2061996-90-3,
KS-00000U2E,
ZINC82610136,
AKOS030632929,
DS-19767,
AJ-125471,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.234g/mol |
| Monoisotopic Mass | 325.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number