Methyl 4-methanesulfonyl-2-(trifluoromethyl)benzoate - CAS 1951440-91-7
Catalog: |
BB059302 |
Product Name: |
Methyl 4-methanesulfonyl-2-(trifluoromethyl)benzoate |
CAS: |
1951440-91-7 |
Synonyms: |
Methyl 4-methanesulfonyl-2-(trifluoromethyl)benzoate; methyl 4-methylsulfonyl-2-(trifluoromethyl)benzoate; Methyl4-methanesulfonyl-2-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 4-methylsulfonyl-2-(trifluoromethyl)benzoate |
Description: | Methyl 4-methanesulfonyl-2-(trifluoromethyl)benzoate |
Molecular Weight: | 282.24 |
Molecular Formula: | C10H9F3O4S |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)S(=O)(=O)C)C(F)(F)F |
InChI: | InChI=1S/C10H9F3O4S/c1-17-9(14)7-4-3-6(18(2,15)16)5-8(7)10(11,12)13/h3-5H,1-2H3 |
InChI Key: | YTXQPCSIPPHEEF-UHFFFAOYSA-N |
Complexity: | 410 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.01736442 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.01736442 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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