| CAS Number | 926248-12-6 |
| Catalog Number | AG019V6G |
| Chemical Name | [4-(difluoromethoxy)-3-ethoxyphenyl]methanamine |
| IUPAC Name | [4-(difluoromethoxy)-3-ethoxyphenyl]methanamine |
| InChI | InChI=1S/C10H13F2NO2/c1-2-14-9-5-7(6-13)3-4-8(9)15-10(11)12/h3-5,10H,2,6,13H2,1H3 |
| InChI Key | GNKNYDRCFXMNBL-UHFFFAOYSA-N |
| MDL Number | MFCD09046609 |
| Molecular Formula | C10H13F2NO2 |
| Molecular Weight | 217.2125 |
| SMILES | CCOC1=C(OC(F)F)C=CC(CN)=C1 |
| Synonyms | [4-(difluoromethoxy)-3-ethoxyphenyl]methanamine,
926248-12-6,
AC1Q35UH,
CTK6G1239,
ZINC21966805,
AKOS000130203,
MCULE-7998083808,
NE14184,
EN300-43879,
Z362759320,
1-[4-(DIFLUOROMETHOXY)-3-ETHOXYPHENYL]METHANAMINE,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.216g/mol |
| Monoisotopic Mass | 217.091g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number