| CAS Number | 123572-58-7 |
| Catalog Number | AG000KTI(AGN-PC-001FBX) |
| Chemical Name | Benzenamine, 2-fluoro-4-(trifluoromethoxy)- |
| IUPAC Name | 2-fluoro-4-(trifluoromethoxy)aniline |
| InChI | InChI=1S/C7H5F4NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2 |
| InChI Key | HDDJDTDRGKHRBG-UHFFFAOYSA-N |
| MDL Number | MFCD15527448 |
| Molecular Formula | C7H5F4NO |
| Molecular Weight | 195.1143 |
| SMILES | NC1=CC=C(OC(F)(F)F)C=C1F |
| Synonyms | 2-fluoro-4-(trifluoromethoxy)aniline,
123572-58-7,
MFCD15527448,
Benzenamine, 2-fluoro-4-(trifluoromethoxy)-,
SCHEMBL519232,
HDDJDTDRGKHRBG-UHFFFAOYSA-N,
KS-00000Z0R,
ZINC34295770,
AKOS015957048,
FCH1139057,
JS-4926,
PC49655,
BC289281,
SC-25554,
2-Fluoro-4-(trifluoroMethoxy)aniline, 97%,
2-FLUORO-4-(TRIFLUOROMETHOXY)BENZENAMINE,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.117g/mol |
| Monoisotopic Mass | 195.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number