1-[4-(2,2-Difluoroethoxy)phenyl]-1-(hydroxyimino)propane - CAS 1216346-67-6
Catalog: |
BB051789 |
Product Name: |
1-[4-(2,2-Difluoroethoxy)phenyl]-1-(hydroxyimino)propane |
CAS: |
1216346-67-6 |
Synonyms: |
(1E)-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one oxime; (1E)-1-[4-(2,2-difluoroethoxy)phenyl]-N-hydroxypropan-1-imine |
IUPAC Name: | (NE)-N-[1-[4-(2,2-difluoroethoxy)phenyl]propylidene]hydroxylamine |
Molecular Weight: | 229.22 |
Molecular Formula: | C11H13F2NO2 |
Canonical SMILES: | CCC(=NO)C1=CC=C(C=C1)OCC(F)F |
InChI: | InChI=1S/C11H13F2NO2/c1-2-10(14-15)8-3-5-9(6-4-8)16-7-11(12)13/h3-6,11,15H,2,7H2,1H3/b14-10+ |
InChI Key: | XQAUFEIVDNSZBS-GXDHUFHOSA-N |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 229.09143498 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.09143498 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 41.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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