| CAS Number | 467442-11-1 |
| Catalog Number | AG00720V(AGN-PC-03HSUL) |
| Chemical Name | t-Butyl 3,5-difluorobenzoate |
| IUPAC Name | tert-butyl 3,5-difluorobenzoate |
| InChI | InChI=1S/C11H12F2O2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3 |
| InChI Key | NHVCNYLYDFGIJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11975648 |
| Molecular Formula | C11H12F2O2 |
| Molecular Weight | 214.2086 |
| SMILES | O=C(OC(C)(C)C)C1=CC(F)=CC(F)=C1 |
| Synonyms | t-Butyl 3,5-difluorobenzoate,
467442-11-1,
TERT-BUTYL 3,5-DIFLUOROBENZOATE,
ACMC-209k7p,
SCHEMBL603502,
tert-butyl-3,5-difluorobenzoate,
CTK8B1723,
DTXSID50620217,
NHVCNYLYDFGIJQ-UHFFFAOYSA-N,
C11H12F2O2,
ANW-30467,
ZINC68812909,
AKOS013211830,
SC-33603,
TC-119212,
V6072,
K-9097,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.212g/mol |
| Monoisotopic Mass | 214.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number