| CAS Number | 941294-14-0 |
| Catalog Number | AG0067EO(AGN-PC-058CO8) |
| Chemical Name | t-Butyl 4-chloro-2-fluorobenzoate |
| IUPAC Name | tert-butyl 4-chloro-2-fluorobenzoate |
| InChI | InChI=1S/C11H12ClFO2/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3 |
| InChI Key | WVGOSBIYTOJPTI-UHFFFAOYSA-N |
| MDL Number | MFCD09475908 |
| Molecular Formula | C11H12ClFO2 |
| Molecular Weight | 230.6632 |
| SMILES | CC(OC(C1=C(F)C=C(Cl)C=C1)=O)(C)C |
| Synonyms | tert-Butyl 4-chloro-2-fluorobenzoate,
941294-14-0,
t-Butyl 4-chloro-2-fluorobenzoate,
ACMC-209rp4,
CTK5H5175,
DTXSID70650490,
6052AC,
ANW-40166,
MFCD09475908,
SBB097668,
ZINC16159543,
AKOS013154315,
RTR-029414,
(tert-Butyl) 4-chloro-2-fluorobenzoate,
AJ-68692,
TR-029414,
ST24050014,
I01-11518,
C11H12ClFO2,
tert-Butyl4-chloro-2-fluorobenzoate,
B-5477,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.663g/mol |
| Monoisotopic Mass | 230.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number