| CAS Number | 561304-42-5 |
| Catalog Number | AG01C1D7(AGN-PC-0405VR) |
| Chemical Name | tert-butyl N-[3-(trifluoromethoxy)phenyl]carbamate |
| IUPAC Name | tert-butyl N-[3-(trifluoromethoxy)phenyl]carbamate |
| InChI | InChI=1S/C12H14F3NO3/c1-11(2,3)19-10(17)16-8-5-4-6-9(7-8)18-12(13,14)15/h4-7H,1-3H3,(H,16,17) |
| InChI Key | SAQHODCHBIFMJB-UHFFFAOYSA-N |
| MDL Number | MFCD21170349 |
| Molecular Formula | C12H14F3NO3 |
| Molecular Weight | 277.2397 |
| SMILES | CC(OC(NC1=CC(OC(F)(F)F)=CC=C1)=O)(C)C |
| Synonyms | tert-butyl N-[3-(trifluoromethoxy)phenyl]carbamate,
561304-42-5,
SAQHODCHBIFMJB-UHFFFAOYSA-N,
ZINC83502179,
AKOS014476255,
tert-butyl[3-(trifluoromethoxy)phenyl]carbamate,
[3-(Trifluoromethoxy)phenyl]carbamic acid tert-butyl ester,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.243g/mol |
| Monoisotopic Mass | 277.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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