TL;DR: 2-Propanone, 1-(o-bromophenoxy)-3-hydroxyamino-, hydrochloride, dl- (CAS 102071-92-1) is a chemical compound with molecular formula C9H11BrClNO3 and molecular weight 294.9611 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-(2-bromophenoxy)-1-hydroxypropan-2-one;hydrochloride
Also Known As: dl-1-(o-Bromophenoxy)-3-hydroxyamino-2-propanone hydrochloride, 2-Propanone, 1-(o-bromophenoxy)-3-hydroxyamino-, hydrochloride, dl-, dl-1-(o-Bromophenoxy)-2-oxy-3-hydroxyamino propane hydrochloride, 1-amino-3-(2-bromophenoxy)-1-hydroxypropan-2-one hydrochloride, 1-amino-3-(2-bromophenoxy)-1-hydroxypropan-2-one,hydrochloride
| Molecular Formula | C9H11BrClNO3 |
| Molecular Weight | 294.9611 g/mol |
| XLogP | 1.0959 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.9611 Da |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
| SMILES | C1=CC=C(C(=C1)OCC(=O)C(N)O)Br.Cl |
| InChIKey | WSVBHBPHZPRHGW-UHFFFAOYSA-N |
The XLogP value of 1.0959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-(o-bromophenoxy)-3-hydroxyamino-, hydrochloride, dl-. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1-(o-bromophenoxy)-3-hydroxyamino-, hydrochloride, dl-. Following Lipinski's Rule of Five, 2-Propanone, 1-(o-bromophenoxy)-3-hydroxyamino-, hydrochloride, dl- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propanone, 1-(o-bromophenoxy)-3-hydroxyamino-, hydrochloride, dl- is 102071-92-1.
The molecular formula of 2-Propanone, 1-(o-bromophenoxy)-3-hydroxyamino-, hydrochloride, dl- is C9H11BrClNO3.
The molecular weight of 2-Propanone, 1-(o-bromophenoxy)-3-hydroxyamino-, hydrochloride, dl- is 294.9611 g/mol.
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