| CAS Number | 1247051-30-4 |
| Catalog Number | AG01B121 |
| Chemical Name | [(3-Chloro-4-fluorophenyl)methyl](2-methoxyethyl)amine |
| IUPAC Name | N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxyethanamine |
| InChI | InChI=1S/C10H13ClFNO/c1-14-5-4-13-7-8-2-3-10(12)9(11)6-8/h2-3,6,13H,4-5,7H2,1H3 |
| InChI Key | ZMDZZNYVKDSBFS-UHFFFAOYSA-N |
| MDL Number | MFCD16786969 |
| Molecular Formula | C10H13ClFNO |
| Molecular Weight | 217.6677 |
| SMILES | COCCNCC1=CC(Cl)=C(F)C=C1 |
| Synonyms | [(3-chloro-4-fluorophenyl)methyl](2-methoxyethyl)amine,
1247051-30-4,
ZINC53156620,
AKOS011828137,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.668g/mol |
| Monoisotopic Mass | 217.067g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number