| CAS Number | 1690617-00-5 |
| Catalog Number | AG00AS01 |
| Chemical Name | Tert-butyl 2-(2-(trifluoromethyl)benzyl)hydrazinecarboxylate |
| IUPAC Name | tert-butyl N-[[2-(trifluoromethyl)phenyl]methylamino]carbamate |
| InChI | InChI=1S/C13H17F3N2O2/c1-12(2,3)20-11(19)18-17-8-9-6-4-5-7-10(9)13(14,15)16/h4-7,17H,8H2,1-3H3,(H,18,19) |
| InChI Key | NOWXIPSVXDOLOA-UHFFFAOYSA-N |
| MDL Number | MFCD24873226 |
| Molecular Formula | C13H17F3N2O2 |
| Molecular Weight | 290.2815 |
| SMILES | O=C(OC(C)(C)C)NNCc1ccccc1C(F)(F)F |
| Synonyms | tert-butyl 2-(2-(trifluoromethyl)benzyl)hydrazinecarboxylate,
1690617-00-5,
MFCD24873226,
ZINC97758948,
t-Butyl 2-(2-(trifluoromethyl)benzyl)hydrazinecarboxylate,
3-(isopropoxymethyl)aniline,
83751-42-2,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.286g/mol |
| Monoisotopic Mass | 290.124g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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