| CAS Number | 1393687-30-3 |
| Catalog Number | AG01E7DU |
| Chemical Name | tert-butyl 2-amino-2-(4-fluorophenyl)acetate |
| IUPAC Name | tert-butyl 2-amino-2-(4-fluorophenyl)acetate |
| InChI | InChI=1S/C12H16FNO2/c1-12(2,3)16-11(15)10(14)8-4-6-9(13)7-5-8/h4-7,10H,14H2,1-3H3 |
| InChI Key | MRFBMIHHIQLHLO-UHFFFAOYSA-N |
| MDL Number | MFCD30752164 |
| Molecular Formula | C12H16FNO2 |
| Molecular Weight | 225.2593 |
| SMILES | CC(OC(C(C1=CC=C(F)C=C1)N)=O)(C)C |
| Synonyms | tert-butyl 2-amino-2-(4-fluorophenyl)acetate,
1393687-30-3,
Amino(4-fluorophenyl)acetic acid tert-butyl ester,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.263g/mol |
| Monoisotopic Mass | 225.117g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number