| CAS Number | 1036756-04-3 |
| Catalog Number | AG01FR5S(AGN-PC-3H5PHC) |
| Chemical Name | (6-Amino-3-bromo-2-fluorophenyl)methanol |
| IUPAC Name | (9-amino-3-bicyclo[3.3.1]nonanyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone;dihydrochloride |
| InChI | InChI=1S/C23H35N3O.2ClH/c1-17-10-11-25(12-13-26(17)16-18-6-3-2-4-7-18)23(27)21-14-19-8-5-9-20(15-21)22(19)24;;/h2-4,6-7,17,19-22H,5,8-16,24H2,1H3;2*1H |
| InChI Key | DPEYHNFHDIXMNV-UHFFFAOYSA-N |
| MDL Number | MFCD30723666 |
| Molecular Formula | C7H7BrFNO |
| Molecular Weight | 220.0390 |
| SMILES | C1=CC(=C(C(=C1N)CO)F)Br |
| Synonyms | Amberlite IRC50,
AKOS026891595,
9002-29-3,
SC-17907,
DB-084170,
1036756-04-3,
Amberlite IRC 50,
|
| Complexity | 490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 441.231368g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.5g/mol |
| Monoisotopic Mass | 441.231368g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.6Ų |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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