Methyl 3-methyl-5-(trifluoromethyl)benzoate - CAS 161622-18-0
Catalog: |
BB059300 |
Product Name: |
Methyl 3-methyl-5-(trifluoromethyl)benzoate |
CAS: |
161622-18-0 |
Synonyms: |
methyl 3-methyl-5-(trifluoromethyl)benzoate; methyl3-methyl-5-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 3-methyl-5-(trifluoromethyl)benzoate |
Description: | Methyl 3-methyl-5-(trifluoromethyl)benzoate |
Molecular Weight: | 218.17 |
Molecular Formula: | C10H9F3O2 |
Canonical SMILES: | CC1=CC(=CC(=C1)C(F)(F)F)C(=O)OC |
InChI: | InChI=1S/C10H9F3O2/c1-6-3-7(9(14)15-2)5-8(4-6)10(11,12)13/h3-5H,1-2H3 |
InChI Key: | ZJRWZTJHPBADAP-UHFFFAOYSA-N |
Solubility: | Chloroform, DMSO, Methanol (Slightly) |
Appearance: | Clear Colourless Oil |
Storage: | 4°C |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.05546401 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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