3-(2,2,2-Trifluoroethoxy)aniline - CAS 123207-61-4
Catalog: |
BB005647 |
Product Name: |
3-(2,2,2-Trifluoroethoxy)aniline |
CAS: |
123207-61-4 |
Synonyms: |
3-(2,2,2-trifluoroethoxy)aniline; 3-(2,2,2-trifluoroethoxy)aniline |
IUPAC Name: | 3-(2,2,2-trifluoroethoxy)aniline |
Description: | 3-(2,2,2-Trifluoroethoxy)aniline (CAS# 123207-61-4) is a useful research chemical. |
Molecular Weight: | 191.15 |
Molecular Formula: | C8H8F3NO |
Canonical SMILES: | C1=CC(=CC(=C1)OCC(F)(F)F)N |
InChI: | InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h1-4H,5,12H2 |
InChI Key: | IJIAMVTVXHRYIT-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.79110 |
Publication Number | Title | Priority Date |
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Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.05579836 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.05579836 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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