| CAS Number | 68825-45-6 |
| Catalog Number | AG00IBVH(AGN-PC-078JZP) |
| Chemical Name | tert-Butyl 2-(4-fluorophenyl)acetate |
| IUPAC Name | tert-butyl 2-(4-fluorophenyl)acetate |
| InChI | InChI=1S/C12H15FO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChI Key | RYZCRXLOOKIYPC-UHFFFAOYSA-N |
| MDL Number | MFCD08310687 |
| Molecular Formula | C12H15FO2 |
| Molecular Weight | 210.2447 |
| SMILES | O=C(OC(C)(C)C)CC1=CC=C(F)C=C1 |
| Synonyms | tert-Butyl 2-(4-fluorophenyl)acetate,
68825-45-6,
MFCD08310687,
ZINC39225916,
AKOS013211426,
tert-butyl alpha-(4-fluorophenyl)acetate,
AJ-99233,
AK147030,
BBV-38102811,
4-Fluorobenzeneacetic acid tert-butyl ester,
AX8284513,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.248g/mol |
| Monoisotopic Mass | 210.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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