| CAS Number | 1215921-77-9 |
| Catalog Number | AG01AGSS |
| Chemical Name | methyl 2-amino-3-fluoro-6-methylbenzoate |
| IUPAC Name | methyl 2-amino-3-fluoro-6-methylbenzoate |
| InChI | InChI=1S/C9H10FNO2/c1-5-3-4-6(10)8(11)7(5)9(12)13-2/h3-4H,11H2,1-2H3 |
| InChI Key | DTDYEYUKTBXHOC-UHFFFAOYSA-N |
| MDL Number | MFCD12159912 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | COC(C1=C(N)C(F)=CC=C1C)=O |
| Synonyms | methyl 2-amino-3-fluoro-6-methylbenzoate,
1215921-77-9,
SCHEMBL15353466,
DTDYEYUKTBXHOC-UHFFFAOYSA-N,
ZINC37475460,
AKOS010055530,
MCULE-7112005064,
NE55364,
EN300-72719,
2-amino-3-fluoro-6-methylbenzoic acid methyl ester,
2-amino-3-fluoro-6-methyl-benzoic acid methyl ester,
Z847770576,
|
| 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