| CAS Number | 1565386-11-9 |
| Catalog Number | AG01BRSQ |
| Chemical Name | [1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]methanol |
| IUPAC Name | [1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]methanol |
| InChI | InChI=1S/C11H15BrN2O/c12-10-5-9(13)1-2-11(10)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7,13H2 |
| InChI Key | MYQGJYHUIDRYKZ-UHFFFAOYSA-N |
| MDL Number | MFCD26059785 |
| Molecular Formula | C11H15BrN2O |
| Molecular Weight | 271.1536 |
| SMILES | NC1=CC(Br)=C(N2CC(CO)CC2)C=C1 |
| Synonyms | [1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]methanol,
1565386-11-9,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.158g/mol |
| Monoisotopic Mass | 270.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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