3-Cyclopropyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridin-6(7H)-one - CAS 1018047-82-9
Catalog: |
BB052856 |
Product Name: |
3-Cyclopropyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridin-6(7H)-one |
CAS: |
1018047-82-9 |
Synonyms: |
3-Cyclopropyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridin-6(7H)-one |
IUPAC Name: | 3-cyclopropyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one |
Molecular Weight: | 244.17 |
Molecular Formula: | C10H7F3N2O2 |
Canonical SMILES: | C1CC1C2=NOC3=C2C(=CC(=O)N3)C(F)(F)F |
InChI: | InChI=1S/C10H7F3N2O2/c11-10(12,13)5-3-6(16)14-9-7(5)8(15-17-9)4-1-2-4/h3-4H,1-2H2,(H,14,16) |
InChI Key: | WJEIJTKVKRCVSV-UHFFFAOYSA-N |
Boiling Point: | 378.2±42.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 390 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.04596196 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.04596196 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Isoxazoles
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