| CAS Number | 1427372-40-4 |
| Catalog Number | AG01ALOG |
| Chemical Name | Methyl 4-amino-5-chloro-2-fluorobenzoate |
| IUPAC Name | methyl 4-amino-5-chloro-2-fluorobenzoate |
| InChI | InChI=1S/C8H7ClFNO2/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3H,11H2,1H3 |
| InChI Key | BSTAJMFFTCQFBN-UHFFFAOYSA-N |
| MDL Number | MFCD23707470 |
| Molecular Formula | C8H7ClFNO2 |
| Molecular Weight | 203.5981 |
| SMILES | COC(C1=C(F)C=C(N)C(Cl)=C1)=O |
| Synonyms | methyl 4-amino-5-chloro-2-fluorobenzoate,
1427372-40-4,
AKOS024211286,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.597g/mol |
| Monoisotopic Mass | 203.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number