4-Fluoropyrrole-2-carboxylic Acid - CAS 475561-90-1
Catalog: |
BB026343 |
Product Name: |
4-Fluoropyrrole-2-carboxylic Acid |
CAS: |
475561-90-1 |
Synonyms: |
4-fluoro-1H-pyrrole-2-carboxylic acid; 4-fluoro-1H-pyrrole-2-carboxylic acid |
IUPAC Name: | 4-fluoro-1H-pyrrole-2-carboxylic acid |
Description: | 4-Fluoropyrrole-2-carboxylic Acid (CAS# 475561-90-1) is a useful research chemical. |
Molecular Weight: | 129.09 |
Molecular Formula: | C5H4FNO2 |
Canonical SMILES: | C1=C(NC=C1F)C(=O)O |
InChI: | InChI=1S/C5H4FNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9) |
InChI Key: | PTARRKAHMJKQLQ-UHFFFAOYSA-N |
LogP: | 0.85200 |
GHS Hazard Statement: | H302 (100%): 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 |
AU-2013242492-A1 | Bicyclic pyrazinone derivatives | 20120328 |
MX-2014011420-A | BICYCLE DERIVATIVES OF PIRAZINONA. | 20120328 |
AU-2007319002-A1 | Oxazole derivatives as positive allosteric modulators of metabotropic glutamate receptors | 20061107 |
CA-2668679-A1 | Oxazole derivatives as positive allosteric modulators of metabotropic glutamate receptors | 20061107 |
EP-2089386-A2 | Oxazole derivatives as positive allosteric modulators of metabotropic glutamate receptors | 20061107 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.02260653 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.02260653 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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