| CAS Number | 1035689-62-3 |
| Catalog Number | AG01B5F1 |
| Chemical Name | 3-Fluoro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-4-amine |
| IUPAC Name | 2-fluoro-4-[3-(trifluoromethoxy)phenyl]aniline |
| InChI | InChI=1S/C13H9F4NO/c14-11-7-9(4-5-12(11)18)8-2-1-3-10(6-8)19-13(15,16)17/h1-7H,18H2 |
| InChI Key | SXGAIXHPMJFHEM-UHFFFAOYSA-N |
| MDL Number | MFCD17406621 |
| Molecular Formula | C13H9F4NO |
| Molecular Weight | 271.2103 |
| SMILES | NC1=C(F)C=C(C2=CC(OC(F)(F)F)=CC=C2)C=C1 |
| Synonyms | 1035689-62-3,
2-fluoro-4-[3-(trifluoromethoxy)phenyl]aniline,
3-Fluoro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-4-amine,
SCHEMBL1337687,
SXGAIXHPMJFHEM-UHFFFAOYSA-N,
ZINC61703074,
AKOS006143689,
3-fluoro-3'-(trifluoromethoxy)biphenyl-4-amine,
4-Amino-3-fluoro-3'-(trifluoromethoxy)biphenyl,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.062027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.21g/mol |
| Monoisotopic Mass | 271.062027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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