2-bromofuran-3-carboxylic acid - CAS 197846-05-2
Catalog: |
BB015288 |
Product Name: |
2-bromofuran-3-carboxylic acid |
CAS: |
197846-05-2 |
Synonyms: |
2-bromo-3-furancarboxylic acid; 2-bromofuran-3-carboxylic acid |
IUPAC Name: | 2-bromofuran-3-carboxylic acid |
Description: | 2-bromofuran-3-carboxylic acid (CAS# 197846-05-2) is a reagent used in the synthesis of anti-muscarinic antagonists. |
Molecular Weight: | 190.98 |
Molecular Formula: | C5H3BrO3 |
Canonical SMILES: | C1=COC(=C1C(=O)O)Br |
InChI: | InChI=1S/C5H3BrO3/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8) |
InChI Key: | UJNWWTUUYCCIFL-UHFFFAOYSA-N |
Boiling Point: | 273.5 °C at 760 mmHg |
Density: | 1.891 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09702417 |
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 |
EP-3157938-A1 | Hetero functional binding systems | 20140617 |
US-2017115285-A1 | Hetero functional binding systems | 20140617 |
WO-2015192183-A1 | Hetero functional binding systems | 20140617 |
US-10768176-B2 | Hetero functional binding systems | 20140617 |
ES-2765891-T3 | Pyridinone and pyrimidinone derivatives as factor XIa inhibitors | 20111221 |
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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