Methyl 3,6-difluoro-2-methoxybenzoate - CAS 1261830-33-4
Catalog: |
BB056462 |
Product Name: |
Methyl 3,6-difluoro-2-methoxybenzoate |
CAS: |
1261830-33-4 |
Synonyms: |
Methyl 3,6-difluoro-2-methoxybenzoate; Methyl3,6-difluoro-2-methoxybenzoate |
IUPAC Name: | methyl 3,6-difluoro-2-methoxybenzoate |
Description: | Methyl 3,6-difluoro-2-methoxybenzoate |
Molecular Weight: | 202.15 |
Molecular Formula: | C9H8F2O3 |
Canonical SMILES: | COC1=C(C=CC(=C1C(=O)OC)F)F |
InChI: | InChI=1S/C9H8F2O3/c1-13-8-6(11)4-3-5(10)7(8)9(12)14-2/h3-4H,1-2H3 |
InChI Key: | SVPYZTCBCQNJOD-UHFFFAOYSA-N |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.04415044 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.04415044 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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