| CAS Number | 536742-64-0 |
| Catalog Number | AG00DF2M(AGN-PC-0CSUF3) |
| Chemical Name | 1-(4-bromophenyl)pyrrolidin-3-ol |
| IUPAC Name | 1-(4-bromophenyl)pyrrolidin-3-ol |
| InChI | InChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4,10,13H,5-7H2 |
| InChI Key | VXAGQCJOIGKVLU-UHFFFAOYSA-N |
| MDL Number | MFCD18914810 |
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 242.1124 |
| SMILES | OC1CN(C2=CC=C(Br)C=C2)CC1 |
| Synonyms | 1-(4-Bromo-phenyl)-pyrrolidin-3-ol,
536742-64-0,
1-(4-bromophenyl)pyrrolidin-3-ol,
1-(4-BroMophenyl)-3-pyrrolidinol,
SCHEMBL1750888,
Z-7123,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.116g/mol |
| Monoisotopic Mass | 241.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number