1-Ethoxy-4-nitro-2-(trifluoromethyl)benzene - CAS 3094-08-4
Catalog: |
BB020756 |
Product Name: |
1-Ethoxy-4-nitro-2-(trifluoromethyl)benzene |
CAS: |
3094-08-4 |
Synonyms: |
1-ethoxy-4-nitro-2-(trifluoromethyl)benzene; 1-ethoxy-4-nitro-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-ethoxy-4-nitro-2-(trifluoromethyl)benzene |
Description: | 1-Ethoxy-4-nitro-2-(trifluoromethyl)benzene (CAS# 3094-08-4 ) is a useful research chemical. |
Molecular Weight: | 235.16 |
Molecular Formula: | C9H8F3NO3 |
Canonical SMILES: | CCOC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F |
InChI: | InChI=1S/C9H8F3NO3/c1-2-16-8-4-3-6(13(14)15)5-7(8)9(10,11)12/h3-5H,2H2,1H3 |
InChI Key: | XWQUJLKVSQCZEG-UHFFFAOYSA-N |
LogP: | 3.53550 |
Publication Number | Title | Priority Date |
WO-03066623-A1 | Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders | 20020206 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0456276 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0456276 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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