1-Boc-5-fluorooxindole - CAS 1332461-14-9
Catalog: |
BB072432 |
Product Name: |
1-Boc-5-fluorooxindole |
CAS: |
1332461-14-9 |
Synonyms: |
tert-Butyl 5-fluoro-2-oxoindoline-1-carboxylate |
IUPAC Name: | tert-butyl 5-fluoro-2-oxo-3H-indole-1-carboxylate |
Molecular Weight: | 251.25 |
Molecular Formula: | C13H14FNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C(=O)CC2=C1C=CC(=C2)F |
InChI: | InChI=1S/C13H14FNO3/c1-13(2,3)18-12(17)15-10-5-4-9(14)6-8(10)7-11(15)16/h4-6H,7H2,1-3H3 |
InChI Key: | KFLXOGNWAZPXJK-UHFFFAOYSA-N |
Solubility: | Dichloromethane; Ethyl Acetate |
Appearance: | Off-White Solid |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.09577147 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.09577147 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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