| CAS Number | 1342035-05-5 |
| Catalog Number | AG01AM29 |
| Chemical Name | Methyl 2-amino-3-chloro-6-fluorobenzoate |
| IUPAC Name | methyl 2-amino-3-chloro-6-fluorobenzoate |
| InChI | InChI=1S/C8H7ClFNO2/c1-13-8(12)6-5(10)3-2-4(9)7(6)11/h2-3H,11H2,1H3 |
| InChI Key | KIYWKQBFUAUCMR-UHFFFAOYSA-N |
| MDL Number | MFCD18285092 |
| Molecular Formula | C8H7ClFNO2 |
| Molecular Weight | 203.5981 |
| SMILES | COC(C1=C(F)C=CC(Cl)=C1N)=O |
| Synonyms | methyl 2-amino-3-chloro-6-fluorobenzoate,
1342035-05-5,
ZINC62996677,
AKOS012481875,
Z2213893420,
2-Amino-3-chloro-6-fluoro-benzoic acid methyl ester,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number