Methyl 2-fluoro-4-isobutoxybenzoate - CAS 1330750-38-3
Catalog: |
BB059672 |
Product Name: |
Methyl 2-fluoro-4-isobutoxybenzoate |
CAS: |
1330750-38-3 |
Synonyms: |
Methyl 2-fluoro-4-isobutoxybenzoate; methyl 2-fluoro-4-(2-methylpropoxy)benzoate; Methyl2-fluoro-4-isobutoxybenzoate |
IUPAC Name: | methyl 2-fluoro-4-(2-methylpropoxy)benzoate |
Description: | Methyl 2-fluoro-4-isobutoxybenzoate |
Molecular Weight: | 226.24 |
Molecular Formula: | C12H15FO3 |
Canonical SMILES: | CC(C)COC1=CC(=C(C=C1)C(=O)OC)F |
InChI: | InChI=1S/C12H15FO3/c1-8(2)7-16-9-4-5-10(11(13)6-9)12(14)15-3/h4-6,8H,7H2,1-3H3 |
InChI Key: | HODLKMZTROFZEW-UHFFFAOYSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.1005225 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.1005225 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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