2'-Fluorobiphenyl-3-carboxylic acid - CAS 103978-23-0
Catalog: |
BB001284 |
Product Name: |
2'-Fluorobiphenyl-3-carboxylic acid |
CAS: |
103978-23-0 |
Synonyms: |
3-(2-fluorophenyl)benzoic acid |
IUPAC Name: | 3-(2-fluorophenyl)benzoic acid |
Description: | 2'-Fluorobiphenyl-3-carboxylic acid (CAS# 103978-23-0) is a useful research chemical. |
Molecular Weight: | 216.21 |
Molecular Formula: | C13H9FO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)O)F |
InChI: | InChI=1S/C13H9FO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16) |
InChI Key: | KJRAPRROUUCCPO-UHFFFAOYSA-N |
Boiling Point: | 383 ℃ at 760 mmHg |
Purity: | 95 % |
LogP: | 3.19090 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20150027922-A | Novel antifungal pyridinylhydrazide derivatives | 20130904 |
WO-2015034271-A1 | Novel antifungal pyridinylhydrazide derivatives | 20130904 |
US-10092537-B2 | Use for PAI-1 inhibitor | 20130415 |
US-2016158188-A1 | Novel use for pai-1 inhibitor | 20130415 |
EP-2291350-A2 | Compositions and methods for preparing and using same | 20080414 |
PMID | Publication Date | Title | Journal |
14711308 | 20040115 | Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis | Journal of medicinal chemistry |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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