Methyl 2,6-difluoro-3-hydroxybenzoate - CAS 1214332-41-8
Catalog: |
BB056457 |
Product Name: |
Methyl 2,6-difluoro-3-hydroxybenzoate |
CAS: |
1214332-41-8 |
Synonyms: |
methyl 2,6-difluoro-3-hydroxybenzoate; 2,6-Difluoro-3-hydroxy-benzoic acid methyl ester; methyl2,6-difluoro-3-hydroxybenzoate; Methyl 2,6-difluoro-3-hydroxy-benzoate |
IUPAC Name: | methyl 2,6-difluoro-3-hydroxybenzoate |
Description: | Methyl 2,6-difluoro-3-hydroxybenzoate |
Molecular Weight: | 188.13 |
Molecular Formula: | C8H6F2O3 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1F)O)F |
InChI: | InChI=1S/C8H6F2O3/c1-13-8(12)6-4(9)2-3-5(11)7(6)10/h2-3,11H,1H3 |
InChI Key: | IJXKUYJHKDPVBN-UHFFFAOYSA-N |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02850037 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02850037 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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