| CAS Number | 1159825-42-9 |
| Catalog Number | AG00HD6A(AGN-PC-0WNGK4) |
| Chemical Name | 1-N-Boc-3-(4-Bromophenoxy)pyrrolidine |
| IUPAC Name | tert-butyl 3-(4-bromophenoxy)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H20BrNO3/c1-15(2,3)20-14(18)17-9-8-13(10-17)19-12-6-4-11(16)5-7-12/h4-7,13H,8-10H2,1-3H3 |
| InChI Key | GEXSUGHVUQJIHP-UHFFFAOYSA-N |
| MDL Number | MFCD12068410 |
| Molecular Formula | C15H20BrNO3 |
| Molecular Weight | 342.2282 |
| SMILES | CC(C)(C)OC(=O)N1CCC(C1)Oc2ccc(cc2)Br |
| Synonyms | 1-N-Boc-3-(4-Bromophenoxy)pyrrolidine,
1159825-42-9,
tert-butyl 3-(4-bromophenoxy)pyrrolidine-1-carboxylate,
SCHEMBL3344897,
DTXSID70679404,
MFCD12068410,
ACN-054394,
DS-9251,
AK177114,
CS-0060926,
3-(4-Bromo-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.233g/mol |
| Monoisotopic Mass | 341.063g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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