| CAS Number | 1311317-05-1 |
| Catalog Number | AG01AHRD(AGN-PC-0WBD55) |
| Chemical Name | [2-(Difluoromethoxy)-3-methoxyphenyl]methanamine hydrochloride |
| IUPAC Name | [2-(difluoromethoxy)-3-methoxyphenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C9H11F2NO2.ClH/c1-13-7-4-2-3-6(5-12)8(7)14-9(10)11;/h2-4,9H,5,12H2,1H3;1H |
| InChI Key | REZMFMNZVJTEIP-UHFFFAOYSA-N |
| MDL Number | MFCD18785572 |
| Molecular Formula | C9H12ClF2NO2 |
| Molecular Weight | 239.6469 |
| SMILES | Cl.COC1=C(OC(F)F)C(CN)=CC=C1 |
| Synonyms | [2-(difluoromethoxy)-3-methoxyphenyl]methanamine hydrochloride,
1311317-05-1,
MFCD18785572,
AKOS008132329,
MCULE-5802065483,
NE56184,
EN300-75562,
Z1267773749,
1-[2-(DIFLUOROMETHOXY)-3-METHOXYPHENYL]METHANAMINE HYDROCHLORIDE,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.647g/mol |
| Monoisotopic Mass | 239.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number