4-[4-Fluoro-3-(trifluoromethyl)phenyl]aniline - CAS 942474-96-6
Catalog: |
BB065094 |
Product Name: |
4-[4-Fluoro-3-(trifluoromethyl)phenyl]aniline |
CAS: |
942474-96-6 |
Synonyms: |
4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine; 4-[4-Fluoro-3-(trifluoromethyl)phenyl]aniline; 4'-Fluoro-3'-trifluoromethyl-biphenyl-4-ylamine |
IUPAC Name: | 4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline |
Description: | 4-[4-Fluoro-3-(trifluoromethyl)phenyl]aniline |
Molecular Weight: | 255.21 |
Molecular Formula: | C13H9F4N |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=C(C=C2)F)C(F)(F)F)N |
InChI: | InChI=1S/C13H9F4N/c14-12-6-3-9(7-11(12)13(15,16)17)8-1-4-10(18)5-2-8/h1-7H,18H2 |
InChI Key: | BLYQKDCPRQEGOS-UHFFFAOYSA-N |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.06711194 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.06711194 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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