3-Fluoro-5-(hydroxymethyl)benzoic Acid - CAS 816449-67-9
Catalog: |
BB036686 |
Product Name: |
3-Fluoro-5-(hydroxymethyl)benzoic Acid |
CAS: |
816449-67-9 |
Synonyms: |
3-fluoro-5-(hydroxymethyl)benzoic acid; 3-fluoro-5-(hydroxymethyl)benzoic acid |
IUPAC Name: | 3-fluoro-5-(hydroxymethyl)benzoic acid |
Description: | 3-Fluoro-5-(hydroxymethyl)benzoic Acid (CAS# 816449-67-9 ) is a useful research chemical. |
Molecular Weight: | 170.14 |
Molecular Formula: | C8H7FO3 |
Canonical SMILES: | C1=C(C=C(C=C1F)C(=O)O)CO |
InChI: | InChI=1S/C8H7FO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,10H,4H2,(H,11,12) |
InChI Key: | IMJHSBTXOXRZBD-UHFFFAOYSA-N |
LogP: | 1.01620 |
Publication Number | Title | Priority Date |
EP-3149103-B1 | Tracers | 20140530 |
AU-2004249639-A1 | Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them | 20030625 |
AU-2004249639-B2 | Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them | 20030625 |
CA-2531543-C | Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them | 20030625 |
CN-100393698-C | Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them | 20030625 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03792224 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03792224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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