| CAS Number | 1093758-83-8 |
| Catalog Number | AG008UH5(AGN-PC-0WD2Q8) |
| Chemical Name | Ethyl 2-amino-4-fluoro-3-methylbenzoate |
| IUPAC Name | ethyl 2-amino-4-fluoro-3-methylbenzoate |
| InChI | InChI=1S/C10H12FNO2/c1-3-14-10(13)7-4-5-8(11)6(2)9(7)12/h4-5H,3,12H2,1-2H3 |
| InChI Key | LIFDWBQEBSPLSF-UHFFFAOYSA-N |
| MDL Number | MFCD11519034 |
| Molecular Formula | C10H12FNO2 |
| Molecular Weight | 197.2062 |
| SMILES | O=C(C1=CC=C(C(C)=C1N)F)OCC |
| Synonyms | Ethyl 2-amino-4-fluoro-3-methylbenzoate,
1093758-83-8,
PubChem10456,
SCHEMBL19590726,
DTXSID20725384,
ZINC43321425,
AKOS010900658,
MCULE-7834677808,
NE42866,
AJ-108576,
DB-059894,
FT-0743156,
Z1639414068,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.209g/mol |
| Monoisotopic Mass | 197.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number