5-(trifluoromethyl)furan-3-carboxylic acid - CAS 56286-81-8
Catalog: |
BB029319 |
Product Name: |
5-(trifluoromethyl)furan-3-carboxylic acid |
CAS: |
56286-81-8 |
Synonyms: |
5-(trifluoromethyl)-3-furancarboxylic acid; 5-(trifluoromethyl)furan-3-carboxylic acid |
IUPAC Name: | 5-(trifluoromethyl)furan-3-carboxylic acid |
Description: | 5-(trifluoromethyl)furan-3-carboxylic acid (CAS# 56286-81-8) is a useful research chemical. |
Molecular Weight: | 180.082 |
Molecular Formula: | C6H3F3O3 |
Canonical SMILES: | C1=C(OC=C1C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C6H3F3O3/c7-6(8,9)4-1-3(2-12-4)5(10)11/h1-2H,(H,10,11) |
InChI Key: | ARHMGMAVOGKKMY-UHFFFAOYSA-N |
LogP: | 1.99660 |
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-3710428-A1 | Modulators of the integrated stress pathway | 20171102 |
US-2020345727-A1 | Modulators of the integrated stress pathway | 20171102 |
EP-3452456-A1 | Modulators of the integrated stress pathway | 20160505 |
US-2019135772-A1 | Modulators of the integrated stress pathway | 20160505 |
WO-2017193063-A1 | Modulators of the integrated stress pathway | 20160505 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.00342844 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.00342844 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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