1-(2,2-Difluoroethoxy)-4-fluoro-2-nitrobenzene - CAS 1245771-90-7
Catalog: |
BB051612 |
Product Name: |
1-(2,2-Difluoroethoxy)-4-fluoro-2-nitrobenzene |
CAS: |
1245771-90-7 |
Synonyms: |
1-(2,2-difluoroethoxy)-4-fluoro-2-nitrobenzene |
IUPAC Name: | 1-(2,2-difluoroethoxy)-4-fluoro-2-nitrobenzene |
Molecular Weight: | 221.13 |
Molecular Formula: | C8H6F3NO3 |
Canonical SMILES: | C1=CC(=C(C=C1F)[N+](=O)[O-])OCC(F)F |
InChI: | InChI=1S/C8H6F3NO3/c9-5-1-2-7(15-4-8(10)11)6(3-5)12(13)14/h1-3,8H,4H2 |
InChI Key: | PUCPQLAHYTYVJO-UHFFFAOYSA-N |
Complexity: | 222 |
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: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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