| CAS Number | 1541478-33-4 |
| Catalog Number | AG01AMBA |
| Chemical Name | 1-(5-Bromo-2-methoxyphenyl)pyrrolidine |
| IUPAC Name | 1-(5-bromo-2-methoxyphenyl)pyrrolidine |
| InChI | InChI=1S/C11H14BrNO/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3 |
| InChI Key | SEMKXQUTBZRJSY-UHFFFAOYSA-N |
| MDL Number | MFCD24133957 |
| Molecular Formula | C11H14BrNO |
| Molecular Weight | 256.139 |
| SMILES | COC1=C(N2CCCC2)C=C(Br)C=C1 |
| Synonyms | 1-(5-bromo-2-methoxyphenyl)pyrrolidine,
1541478-33-4,
1-(5-bromo-2-methoxy-phenyl)-pyrrolidine,
SCHEMBL2277814,
SEMKXQUTBZRJSY-UHFFFAOYSA-N,
AKOS020188651,
ZINC118521784,
A1-07881,
Z2216303030,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.143g/mol |
| Monoisotopic Mass | 255.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number