3-Fluoro-5-nitrobenzotrifluoride - CAS 454-73-9
Catalog: |
BB025885 |
Product Name: |
3-Fluoro-5-nitrobenzotrifluoride |
CAS: |
454-73-9 |
Synonyms: |
1-fluoro-3-nitro-5-(trifluoromethyl)benzene; 1-fluoro-3-nitro-5-(trifluoromethyl)benzene |
IUPAC Name: | 1-fluoro-3-nitro-5-(trifluoromethyl)benzene |
Description: | 3-Fluoro-5-nitrobenzotrifluoride (CAS# 454-73-9) is a tri-substitiuted benzene derivative used in the preparation of androgen receptor modulators and other pharmaceutical compounds. |
Molecular Weight: | 209.10 |
Molecular Formula: | C7H3F4NO2 |
Canonical SMILES: | C1=C(C=C(C=C1[N+](=O)[O-])F)C(F)(F)F |
InChI: | InChI=1S/C7H3F4NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H |
InChI Key: | RKLBCPTURHSIOJ-UHFFFAOYSA-N |
Boiling Point: | 186 ℃ at 760 mmHg |
Density: | 1.504 g/cm3 |
MDL: | MFCD07779168 |
LogP: | 3.27590 |
Publication Number | Title | Priority Date |
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Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.00999099 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.00999099 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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