| CAS Number | 928839-58-1 |
| Catalog Number | AG01A5R9(AGN-PC-0E4ID6) |
| Chemical Name | Methyl 2-amino-4-fluoro-3-methylbenzoate |
| IUPAC Name | methyl 2-amino-4-fluoro-3-methylbenzoate |
| InChI | InChI=1S/C9H10FNO2/c1-5-7(10)4-3-6(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3 |
| InChI Key | KQAJSIFCOAYAIE-UHFFFAOYSA-N |
| MDL Number | MFCD16066175 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | COC(C1=C(N)C(C)=C(F)C=C1)=O |
| Synonyms | methyl 2-amino-4-fluoro-3-methylbenzoate,
928839-58-1,
SCHEMBL5300551,
ZINC43321423,
AKOS010900657,
NE58754,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.182g/mol |
| Monoisotopic Mass | 183.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number