| CAS Number | 1427398-87-5 |
| Catalog Number | AG01DYR9 |
| Chemical Name | Methyl 4-amino-2-fluoro-5-methylbenzoate |
| IUPAC Name | methyl 4-amino-2-fluoro-5-methylbenzoate |
| InChI | InChI=1S/C9H10FNO2/c1-5-3-6(9(12)13-2)7(10)4-8(5)11/h3-4H,11H2,1-2H3 |
| InChI Key | RPYSATQZZQGSQI-UHFFFAOYSA-N |
| MDL Number | MFCD23707433 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | COC(C1=C(F)C=C(N)C(C)=C1)=O |
| Synonyms | Methyl 4-amino-2-fluoro-5-methylbenzoate,
1427398-87-5,
SCHEMBL19175223,
CS-0077258,
4-amino-2-fluoro-5-methyl-benzoic acid methyl ester,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number