1-Nitro-3-(2,2,2-trifluoroethoxy)benzene - CAS 87014-29-7
Catalog: |
BB047506 |
Product Name: |
1-Nitro-3-(2,2,2-trifluoroethoxy)benzene |
CAS: |
87014-29-7 |
Synonyms: |
1-nitro-3-(2,2,2-trifluoroethoxy)benzene |
IUPAC Name: | 1-nitro-3-(2,2,2-trifluoroethoxy)benzene |
Description: | 1-Nitro-3-(2,2,2-trifluoroethoxy)benzene (CAS# 87014-29-7 ) is a useful research chemical. |
Molecular Weight: | 221.13 |
Molecular Formula: | C8H6F3NO3 |
Canonical SMILES: | C1=CC(=CC(=C1)OCC(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6F3NO3/c9-8(10,11)5-15-7-3-1-2-6(4-7)12(13)14/h1-4H,5H2 |
InChI Key: | REFBKPHTONTLIR-UHFFFAOYSA-N |
Purity: | 98 % |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.02997754 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.02997754 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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