| CAS Number | 1016506-18-5 |
| Catalog Number | AG01AAUE |
| Chemical Name | tert-Butyl N-[4-amino-3-(trifluoromethyl)phenyl]carbamate |
| IUPAC Name | tert-butyl N-[4-amino-3-(trifluoromethyl)phenyl]carbamate |
| InChI | InChI=1S/C12H15F3N2O2/c1-11(2,3)19-10(18)17-7-4-5-9(16)8(6-7)12(13,14)15/h4-6H,16H2,1-3H3,(H,17,18) |
| InChI Key | DTKZULVOXVVIHP-UHFFFAOYSA-N |
| MDL Number | MFCD09809803 |
| Molecular Formula | C12H15F3N2O2 |
| Molecular Weight | 276.2549 |
| SMILES | O=C(OC(C)(C)C)NC1=CC=C(N)C(C(F)(F)F)=C1 |
| Synonyms | tert-butyl N-[4-amino-3-(trifluoromethyl)phenyl]carbamate,
1016506-18-5,
AC1Q1N9V,
tert-butyl (4-amino-3-trifluoromethylphenyl)carbamate,
SCHEMBL13244505,
ZINC19414389,
AKOS000163729,
MCULE-2757473652,
NE18247,
EN300-69601,
Z1263714067,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.259g/mol |
| Monoisotopic Mass | 276.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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