Benzyl Azetidine-3-carboxylate Trifluoroacetate - CAS 2006278-23-3
Catalog: |
BB015606 |
Product Name: |
Benzyl Azetidine-3-carboxylate Trifluoroacetate |
CAS: |
2006278-23-3 |
Synonyms: |
3-azetidinecarboxylic acid (phenylmethyl) ester;2,2,2-trifluoroacetic acid; benzyl azetidine-3-carboxylate;2,2,2-trifluoroacetic acid |
IUPAC Name: | benzyl azetidine-3-carboxylate;2,2,2-trifluoroacetic acid |
Description: | Benzyl Azetidine-3-carboxylate Trifluoroacetate (CAS# 2006278-23-3 ) is a useful research chemical. |
Molecular Weight: | 305.25 |
Molecular Formula: | C13H14F3NO4 |
Canonical SMILES: | C1C(CN1)C(=O)OCC2=CC=CC=C2.C(=O)(C(F)(F)F)O |
InChI: | InChI=1S/C11H13NO2.C2HF3O2/c13-11(10-6-12-7-10)14-8-9-4-2-1-3-5-9;3-2(4,5)1(6)7/h1-5,10,12H,6-8H2;(H,6,7) |
InChI Key: | UBIBTNZPCQFHMF-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3570836-A1 | 2-arylsulfonamido-n-arylacetamide derivatized stat3 inhibitors | 20170123 |
JP-2020505457-A | 2-Arylsulfonamide-N-arylacetamide derivatized Stat3 | 20170123 |
US-2019389844-A1 | 2-arylsulfonamido-n-arylacetamide derivatized stat3 inhibitors | 20170123 |
WO-2018136935-A1 | 2-arylsulfonamido-n-arylacetamide derivatized stat3 inhibitors | 20170123 |
AU-2016379388-A1 | Methods of treating pulmonary diseases and disorders | 20151222 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.08749241 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.08749241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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