| CAS Number | 848678-60-4 |
| Catalog Number | AG019ET9(AGN-PC-0CUUHP) |
| Chemical Name | Methyl 3-amino-6-fluoro-2-methylbenzoate |
| IUPAC Name | methyl 3-amino-6-fluoro-2-methylbenzoate |
| InChI | InChI=1S/C9H10FNO2/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4H,11H2,1-2H3 |
| InChI Key | GCLVXDCQEQNQOG-UHFFFAOYSA-N |
| MDL Number | MFCD20702638 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | COC(C1=C(F)C=CC(N)=C1C)=O |
| Synonyms | Methyl 3-amino-6-fluoro-2-methylbenzoate,
848678-60-4,
SCHEMBL543938,
GCLVXDCQEQNQOG-UHFFFAOYSA-N,
MFCD20702638,
ZINC88190054,
AKOS023838938,
CS-0038504,
3-Amino-6-fluoro-2-methyl-benzoic acid methyl ester,
Benzoic acid, 3-amino-6-fluoro-2-methyl-, methyl ester,
Z2146514187,
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| 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 | 1.6 |
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Certificate of Analysis
Lot Number