1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarboxylic Acid - CAS 936727-93-4
Catalog: |
BB041013 |
Product Name: |
1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarboxylic Acid |
CAS: |
936727-93-4 |
Synonyms: |
1-[4-(trifluoromethoxy)phenyl]-1-cyclopropanecarboxylic acid; 1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid |
Description: | 1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarboxylic Acid (CAS# 936727-93-4 ) is a useful research chemical. |
Molecular Weight: | 246.18 |
Molecular Formula: | C11H9F3O3 |
Canonical SMILES: | C1CC1(C2=CC=C(C=C2)OC(F)(F)F)C(=O)O |
InChI: | InChI=1S/C11H9F3O3/c12-11(13,14)17-8-3-1-7(2-4-8)10(5-6-10)9(15)16/h1-4H,5-6H2,(H,15,16) |
InChI Key: | WLYQHMMKMYCFAP-UHFFFAOYSA-N |
Boiling Point: | 304.1 °C at 760 mmHg |
Density: | 1.461 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.70140 |
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 |
WO-2021130492-A1 | Carboxy derivatives with antiinflammatory properties | 20191223 |
AU-2017256172-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
CA-3016303-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
JP-2019514840-A | Modulator of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-10118916-B2 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.05037863 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.05037863 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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