| CAS Number | 233272-89-4 |
| Catalog Number | AG01A1F1 |
| Chemical Name | N-(prop-2-yn-1-yl)-4-(trifluoromethyl)aniline |
| IUPAC Name | N-prop-2-ynyl-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C10H8F3N/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h1,3-6,14H,7H2 |
| InChI Key | JYMURXMWDRMJDZ-UHFFFAOYSA-N |
| MDL Number | MFCD16664395 |
| Molecular Formula | C10H8F3N |
| Molecular Weight | 199.1724 |
| SMILES | FC(C1=CC=C(NCC#C)C=C1)(F)F |
| Synonyms | N-(prop-2-yn-1-yl)-4-(trifluoromethyl)aniline,
233272-89-4,
SCHEMBL4239278,
MFCD16664395,
ZINC49136434,
AKOS009049050,
MCULE-5369611826,
NE57246,
Benzenamine, N-2-propyn-1-yl-4-(trifluoromethyl)-,
Z267302066,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.176g/mol |
| Monoisotopic Mass | 199.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number