| CAS Number | 954253-20-4 |
| Catalog Number | AG01A4HC |
| Chemical Name | 1-(3,4-Difluorophenyl)-2-methoxyethan-1-amine |
| IUPAC Name | 1-(3,4-difluorophenyl)-2-methoxyethanamine |
| InChI | InChI=1S/C9H11F2NO/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4,9H,5,12H2,1H3 |
| InChI Key | HMXDXOIJHPACRX-UHFFFAOYSA-N |
| MDL Number | MFCD09738688 |
| Molecular Formula | C9H11F2NO |
| Molecular Weight | 187.1865 |
| SMILES | COCC(C1=CC(F)=C(F)C=C1)N |
| Synonyms | 1-(3,4-difluorophenyl)-2-methoxyethan-1-amine,
954253-20-4,
AKOS009139572,
NE29420,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.19g/mol |
| Monoisotopic Mass | 187.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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