Methyl 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate - CAS 476429-18-2
Catalog: |
BB059311 |
Product Name: |
Methyl 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate |
CAS: |
476429-18-2 |
Synonyms: |
Methyl 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate; methyl 2-methyl-2-(4-(trifluoromethyl)phenyl)propanoate; Methyl2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate |
IUPAC Name: | methyl 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate |
Description: | Methyl 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate |
Molecular Weight: | 246.23 |
Molecular Formula: | C12H13F3O2 |
Canonical SMILES: | CC(C)(C1=CC=C(C=C1)C(F)(F)F)C(=O)OC |
InChI: | InChI=1S/C12H13F3O2/c1-11(2,10(16)17-3)8-4-6-9(7-5-8)12(13,14)15/h4-7H,1-3H3 |
InChI Key: | ZIIRSEIPZKDSQH-UHFFFAOYSA-N |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.08676414 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.08676414 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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