2-Fluoro-4-(hydroxymethyl)benzoic acid - CAS 214554-18-4
Catalog: |
BB016878 |
Product Name: |
2-Fluoro-4-(hydroxymethyl)benzoic acid |
CAS: |
214554-18-4 |
Synonyms: |
2-fluoro-4-(hydroxymethyl)benzoic acid |
IUPAC Name: | 2-fluoro-4-(hydroxymethyl)benzoic acid |
Description: | 2-Fluoro-4-(hydroxymethyl)benzoic acid (CAS# 214554-18-4) is a reagent used as a fluorinated linker in the preparation of pilicide libraries. |
Molecular Weight: | 170.14 |
Molecular Formula: | C8H7FO3 |
Canonical SMILES: | C1=CC(=C(C=C1CO)F)C(=O)O |
InChI: | InChI=1S/C8H7FO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,10H,4H2,(H,11,12) |
InChI Key: | ZCRWSMHXYHEAQD-UHFFFAOYSA-N |
Boiling Point: | 332.4 °C at 760 mmHg |
Density: | 1.417 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08741375 |
LogP: | 1.01620 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2017090743-A1 | Novel imidazole compound and use thereof as melanocortin receptor agonist | 20151127 |
EP-3381913-B1 | 2-(((pyrrolidin-3-yl)carbonyl)amino)-1h-imidazole derivatives as melanocortin receptor 1 (mcr1) agonists for treating rheumatoid arthritis | 20151127 |
TW-201629039-A | Novel enzyme inhibitor | 20141127 |
TW-I675832-B | Novel enzyme inhibitor | 20141127 |
WO-2016083816-A1 | N-((heteroarylmethyl)-heteroaryl-carboxamide derivatives as plasma kallikrein inhibitors | 20141127 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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