| CAS Number | 1247376-44-8 |
| Catalog Number | AG01A0ZJ |
| Chemical Name | Ethyl 2-amino-4-fluoro-5-methoxybenzoate |
| IUPAC Name | ethyl 2-amino-4-fluoro-5-methoxybenzoate |
| InChI | InChI=1S/C10H12FNO3/c1-3-15-10(13)6-4-9(14-2)7(11)5-8(6)12/h4-5H,3,12H2,1-2H3 |
| InChI Key | FVGGZVBYTCGIED-UHFFFAOYSA-N |
| MDL Number | MFCD16159160 |
| Molecular Formula | C10H12FNO3 |
| Molecular Weight | 213.2056 |
| SMILES | O=C(OCC)C1=CC(OC)=C(F)C=C1N |
| Synonyms | ethyl 2-amino-4-fluoro-5-methoxybenzoate,
1247376-44-8,
SCHEMBL17241781,
ZINC50034181,
AKOS011267520,
MCULE-4526969511,
NE27897,
Z1436472918,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.208g/mol |
| Monoisotopic Mass | 213.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number