2-Methyl-2-(4-nitro-3-(trifluoromethyl)phenoxy)propanoic Acid - CAS 62100-47-4
Catalog: |
BB059544 |
Product Name: |
2-Methyl-2-(4-nitro-3-(trifluoromethyl)phenoxy)propanoic Acid |
CAS: |
62100-47-4 |
Synonyms: |
2-Methyl-2-(4-nitro-3-(trifluoromethyl)phenoxy)propanoic Acid; 2-Methyl-2-[4-nitro-3-(trifluoromethyl)phenoxy]propanoic acid |
IUPAC Name: | 2-methyl-2-[4-nitro-3-(trifluoromethyl)phenoxy]propanoic acid |
Description: | 2-Methyl-2-(4-nitro-3-(trifluoromethyl)phenoxy)propanoic Acid is used in the synthetic preparation of N-aryl-2-hydroxy-2-methylpropanamide derivatives. |
Molecular Weight: | 293.2 |
Molecular Formula: | C11H10F3NO5 |
Canonical SMILES: | CC(C)(C(=O)O)OC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F |
InChI: | InChI=1S/C11H10F3NO5/c1-10(2,9(16)17)20-6-3-4-8(15(18)19)7(5-6)11(12,13)14/h3-5H,1-2H3,(H,16,17) |
InChI Key: | XGVKNHXDSPEWJX-UHFFFAOYSA-N |
References: | Bayles, R., et. al. Synthesis, 1, 31 (1977). |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.05110691 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.05110691 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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