| CAS Number | 1467060-22-5 |
| Catalog Number | AG00HXIS(AGN-PC-0WR2SY) |
| Chemical Name | 1-(3-(4-Bromophenyl)pyrrolidin-1-yl)ethanone |
| IUPAC Name | 1-[3-(4-bromophenyl)pyrrolidin-1-yl]ethanone |
| InChI | InChI=1S/C12H14BrNO/c1-9(15)14-7-6-11(8-14)10-2-4-12(13)5-3-10/h2-5,11H,6-8H2,1H3 |
| InChI Key | FCLZZIJJMSFCOG-UHFFFAOYSA-N |
| MDL Number | MFCD28133729 |
| Molecular Formula | C12H14BrNO |
| Molecular Weight | 268.1497 |
| SMILES | CC(=O)N1CCC(C1)C1=CC=C(Br)C=C1 |
| Synonyms | 1467060-22-5,
1-[3-(4-bromophenyl)pyrrolidin-1-yl]ethanone,
1-(3-(4-Bromophenyl)pyrrolidin-1-yl)ethanone,
Ethanone, 1-[3-(4-bromophenyl)-1-pyrrolidinyl]-,
SCHEMBL15300933,
FCLZZIJJMSFCOG-UHFFFAOYSA-N,
MFCD28133729,
AS-43011,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.154g/mol |
| Monoisotopic Mass | 267.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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