| CAS Number | 1157091-16-1 |
| Catalog Number | AG01AB10 |
| Chemical Name | 1-amino-3-(3,4-difluorophenoxy)propan-2-ol |
| IUPAC Name | 1-amino-3-(3,4-difluorophenoxy)propan-2-ol |
| InChI | InChI=1S/C9H11F2NO2/c10-8-2-1-7(3-9(8)11)14-5-6(13)4-12/h1-3,6,13H,4-5,12H2 |
| InChI Key | HVGLJNXXFSJORF-UHFFFAOYSA-N |
| MDL Number | MFCD12137007 |
| Molecular Formula | C9H11F2NO2 |
| Molecular Weight | 203.1859 |
| SMILES | NCC(COC1=CC(F)=C(F)C=C1)O |
| Synonyms | 1-amino-3-(3,4-difluorophenoxy)propan-2-ol,
1157091-16-1,
AC1Q53OY,
SCHEMBL15664329,
HVGLJNXXFSJORF-UHFFFAOYSA-N,
AKOS009573321,
MCULE-7896761933,
NE23189,
EN300-70134,
rac-1-amino-3-(3,4-difluorophenoxy)propan-2-ol,
rac-1-amino-3-(3,4-difluorophenoxyl)propan-2-ol,
Z1222283882,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.189g/mol |
| Monoisotopic Mass | 203.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number