| CAS Number | 1233521-09-9 |
| Catalog Number | AG01FDU3(AGN-PC-3H4A06) |
| Chemical Name | 3-(Difluoromethoxy)-N-methylaniline |
| IUPAC Name | 3-(difluoromethoxy)-N-methylaniline |
| InChI | InChI=1S/C8H9F2NO/c1-11-6-3-2-4-7(5-6)12-8(9)10/h2-5,8,11H,1H3 |
| InChI Key | OHFUZDGTOMMUDC-UHFFFAOYSA-N |
| MDL Number | MFCD11655735 |
| Molecular Formula | C8H9F2NO |
| Molecular Weight | 173.1600 |
| SMILES | CNc1cccc(c1)OC(F)F |
| Synonyms | 3-(Difluoromethoxy)-N-methylaniline,
1233521-09-9,
SCHEMBL14233363,
MFCD11655735,
ZINC36533403,
AKOS012391301,
3-(Difluoromethoxy)-N-methylbenzenamine,
F8883-2693,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.163g/mol |
| Monoisotopic Mass | 173.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number