| CAS Number | 58119-51-0 |
| Catalog Number | AG00F1DQ(AGN-PC-00DQ4V) |
| Chemical Name | 4-[4-(trifluoromethoxy)phenoxy]aniline |
| IUPAC Name | 4-[4-(trifluoromethoxy)phenoxy]aniline |
| InChI | InChI=1S/C13H10F3NO2/c14-13(15,16)19-12-7-5-11(6-8-12)18-10-3-1-9(17)2-4-10/h1-8H,17H2 |
| InChI Key | JROBFACAMCMLJS-UHFFFAOYSA-N |
| MDL Number | MFCD00239334 |
| Molecular Formula | C13H10F3NO2 |
| Molecular Weight | 269.2192 |
| SMILES | FC(OC1=CC=C(OC2=CC=C(N)C=C2)C=C1)(F)F |
| Synonyms | 4-(4-(Trifluoromethoxy)phenoxy)aniline,
58119-51-0,
4-[4-(trifluoromethoxy)phenoxy]aniline,
SCHEMBL633116,
CTK1F0479,
KS-00001BFX,
DTXSID30470292,
JROBFACAMCMLJS-UHFFFAOYSA-N,
MFCD00239334,
ZINC38213331,
4-(4-trifluoromethoxyphenoxy)-aniline,
AKOS023125742,
4-(4-(trifluoromethoxy) phenoxy)aniline,
4-(4-trifluoromethoxyphenoxy)phenylamine,
CS-0039094,
Benzenamine, 4-[4-(trifluoromethoxy)phenoxy]-,
CID11666192,
4-[4-(Trifluoromethoxy)phenoxy]benzenamine,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.223g/mol |
| Monoisotopic Mass | 269.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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