Methyl 3-Fluoro-5-(hydroxymethyl)benzoate - CAS 660416-37-5
Catalog: |
BB032890 |
Product Name: |
Methyl 3-Fluoro-5-(hydroxymethyl)benzoate |
CAS: |
660416-37-5 |
Synonyms: |
3-fluoro-5-(hydroxymethyl)benzoic acid methyl ester; methyl 3-fluoro-5-(hydroxymethyl)benzoate |
IUPAC Name: | methyl 3-fluoro-5-(hydroxymethyl)benzoate |
Description: | Methyl 3-Fluoro-5-(hydroxymethyl)benzoate (CAS# 660416-37-5 ) is a useful research chemical. |
Molecular Weight: | 184.16 |
Molecular Formula: | C9H9FO3 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)F)CO |
InChI: | InChI=1S/C9H9FO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-4,11H,5H2,1H3 |
InChI Key: | SLDBCBDKAUNYHY-UHFFFAOYSA-N |
LogP: | 1.10460 |
Publication Number | Title | Priority Date |
WO-2021181122-A1 | Gpr52 modulator compounds | 20200313 |
WO-2021090030-A1 | Gpr52 modulator compounds | 20191108 |
EP-2900645-A1 | 3-phenylisoxazolin derivatives with herbicidal action | 20120925 |
AU-2006328194-A1 | Quinazoline derivatives, process for their preparation and their use as anti-cancer agents | 20051222 |
BR-PI0620462-A2 | compound, process for preparing a compound, pharmaceutical composition, use of a compound, and methods for producing a b-raf inhibitory effect and an anti-cancer effect in a warm-blooded animal, and for treating a disease. | 20051222 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.05357231 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.05357231 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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