Desfluoro Fluvoxketone - CAS 1391053-78-3
Catalog: |
BB068450 |
Product Name: |
Desfluoro Fluvoxketone |
CAS: |
1391053-78-3 |
Synonyms: |
(4-Methoxybutyl)(4-difluoromethylphenyl)methanone; Desfluoro EP Impurity D 5-Methoxy-1-[4-(difluoromethyl)phenyl]-1-pentanone |
IUPAC Name: | 1-[4-(difluoromethyl)phenyl]-5-methoxypentan-1-one |
Description: | Desfluoro Fluvoxamine intermediate. |
Molecular Weight: | 242.26 |
Molecular Formula: | C13H16F2O2 |
Canonical SMILES: | COCCCCC(=O)C1=CC=C(C=C1)C(F)F |
InChI: | InChI=1S/C13H16F2O2/c1-17-9-3-2-4-12(16)10-5-7-11(8-6-10)13(14)15/h5-8,13H,2-4,9H2,1H3 |
InChI Key: | FWTUJBVMQULWOB-UHFFFAOYSA-N |
Solubility: | Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Beige to Light Beige Waxy Solid to Solid |
Storage: | -20°C |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.11183607 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.11183607 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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