| CAS Number | 1782596-20-6 |
| Catalog Number | AG01C078 |
| Chemical Name | methyl 3-amino-6-chloro-2-fluorobenzoate |
| IUPAC Name | methyl 3-amino-6-chloro-2-fluorobenzoate |
| InChI | InChI=1S/C8H7ClFNO2/c1-13-8(12)6-4(9)2-3-5(11)7(6)10/h2-3H,11H2,1H3 |
| InChI Key | KTOYABBZOAPFBS-UHFFFAOYSA-N |
| MDL Number | MFCD28650869 |
| Molecular Formula | C8H7ClFNO2 |
| Molecular Weight | 203.5981 |
| SMILES | COC(C1=C(Cl)C=CC(N)=C1F)=O |
| Synonyms | methyl 3-amino-6-chloro-2-fluorobenzoate,
1782596-20-6,
ZINC215586517,
|
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number