4-Bromo-2-furoic Acid - CAS 3439-02-9
Catalog: |
BB022110 |
Product Name: |
4-Bromo-2-furoic Acid |
CAS: |
3439-02-9 |
Synonyms: |
4-bromo-2-furancarboxylic acid; 4-bromofuran-2-carboxylic acid |
IUPAC Name: | 4-bromofuran-2-carboxylic acid |
Description: | 4-Bromo-2-furoic Acid (CAS# 3439-02-9) is a useful research chemical compound. |
Molecular Weight: | 190.98 |
Molecular Formula: | C5H3BrO3 |
Canonical SMILES: | C1=C(OC=C1Br)C(=O)O |
InChI: | InChI=1S/C5H3BrO3/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8) |
InChI Key: | QALYBHRYGIXHOF-UHFFFAOYSA-N |
Boiling Point: | 284 °C |
Density: | 1.891 g/cm3 |
LogP: | 1.74030 |
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 |
WO-2021083060-A1 | Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof | 20191028 |
WO-2021050700-A1 | Cyclooxygenase-2 inhibitors and uses thereof | 20190913 |
WO-2020012427-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
EP-3820867-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
US-2021292324-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
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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