| CAS Number | 923683-37-8 |
| Catalog Number | AG019LZI(AGN-PC-00UXZT) |
| Chemical Name | Methyl 2-amino-4-(difluoromethoxy)-5-methoxybenzoate |
| IUPAC Name | methyl 2-amino-4-(difluoromethoxy)-5-methoxybenzoate |
| InChI | InChI=1S/C10H11F2NO4/c1-15-7-3-5(9(14)16-2)6(13)4-8(7)17-10(11)12/h3-4,10H,13H2,1-2H3 |
| InChI Key | QBMXDZDSUDIBEP-UHFFFAOYSA-N |
| MDL Number | MFCD08444622 |
| Molecular Formula | C10H11F2NO4 |
| Molecular Weight | 247.1954 |
| SMILES | COC(C1=C(N)C=C(OC(F)F)C(OC)=C1)=O |
| Synonyms | methyl 2-amino-4-(difluoromethoxy)-5-methoxybenzoate,
923683-37-8,
AC1Q42HB,
CTK6I9433,
ZINC8726049,
MFCD08444622,
AKOS008087532,
MCULE-6466174949,
NE46575,
EN300-33490,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.198g/mol |
| Monoisotopic Mass | 247.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number