| CAS Number | 2090757-52-9 |
| Catalog Number | AG01B6V8 |
| Chemical Name | tert-butyl 3-amino-2-chloro-6-fluorobenzoate |
| IUPAC Name | tert-butyl 3-amino-2-chloro-6-fluorobenzoate |
| InChI | InChI=1S/C11H13ClFNO2/c1-11(2,3)16-10(15)8-6(13)4-5-7(14)9(8)12/h4-5H,14H2,1-3H3 |
| InChI Key | MBKHQZJYXOHDGK-UHFFFAOYSA-N |
| MDL Number | MFCD31381047 |
| Molecular Formula | C11H13ClFNO2 |
| Molecular Weight | 245.6778 |
| SMILES | CC(OC(C1=C(Cl)C(N)=CC=C1F)=O)(C)C |
| Synonyms | tert-butyl 3-amino-2-chloro-6-fluorobenzoate,
AKOS033982920,
ZINC583650880,
Z2692095135,
2090757-52-9,
N/A,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.678g/mol |
| Monoisotopic Mass | 245.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number