5-Bromo-3-furancarboxylic Acid - CAS 58832-36-3
Catalog: |
BB030174 |
Product Name: |
5-Bromo-3-furancarboxylic Acid |
CAS: |
58832-36-3 |
Synonyms: |
5-bromo-3-furancarboxylic acid; 5-bromofuran-3-carboxylic acid |
IUPAC Name: | 5-bromofuran-3-carboxylic acid |
Description: | 5-Bromo-3-furancarboxylic Acid (CAS# 58832-36-3) is a useful research chemical. |
Molecular Weight: | 190.98 |
Molecular Formula: | C5H3BrO3 |
Canonical SMILES: | C1=C(OC=C1C(=O)O)Br |
InChI: | InChI=1S/C5H3BrO3/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8) |
InChI Key: | XYBPFWUNJQTZCM-UHFFFAOYSA-N |
Boiling Point: | 279.4 °C at 760 mmHg |
Density: | 1.891 g/cm3 |
Appearance: | Solid |
LogP: | 1.74030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202045505-A | Novel compounds and pharmaceutical compositions thereof for the treatment of diseases | 20190225 |
WO-2020173739-A1 | Pyrazolopyridine derivatives as inhibitors of pask | 20190225 |
CN-113474344-A | Pyrazolopyridine derivatives as PASK inhibitors | 20190225 |
EP-3226858-A1 | Imidazole-based antimicrobial agents | 20141204 |
TW-201625595-A | Novel imidazole heterocyclic compounds | 20141204 |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.92656 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.92656 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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