3-(Trifluoromethyl)isoxazole-4-carboxylic Acid - CAS 1076245-98-1
Catalog: |
BB056895 |
Product Name: |
3-(Trifluoromethyl)isoxazole-4-carboxylic Acid |
CAS: |
1076245-98-1 |
Synonyms: |
3-(Trifluoromethyl)isoxazole-4-carboxylic acid; 3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid; 3-Trifluoromethyl-isoxazole-4-carboxylic acid |
IUPAC Name: | 3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid |
Description: | 3-(TRIFLUOROMETHYL)ISOXAZOLE-4-CARBOXYLIC ACID (cas# 1076245-98-1) is a useful research chemical. |
Molecular Weight: | 181.07 |
Molecular Formula: | C5H2NO3F3 |
Canonical SMILES: | C1=C(C(=NO1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C5H2F3NO3/c6-5(7,8)3-2(4(10)11)1-12-9-3/h1H,(H,10,11) |
InChI Key: | BUHQKFQUHDDTHL-UHFFFAOYSA-N |
Melting Point: | >90°C (dec.) |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Grey to Light Grey Solid |
Storage: | 4°C, Inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021239743-A1 | Il-17a modulators | 20200527 |
WO-2021239745-A1 | Il-17a modulators | 20200527 |
WO-2021222404-A1 | Imidazopyridazines as modulators of il-17 | 20200430 |
TW-202039505-A | Il-17a inhibitors | 20190107 |
CA-3125788-A1 | Imidazo[1,2-b]pyridazine il-17a inhibitors | 20190107 |
CN-113286795-A | Imidazo [1,2-b ] pyridazine IL-17A inhibitors | 20190107 |
KR-20210100143-A | Imidazo[1,2-B]pyridazine IL-17A inhibitor | 20190107 |
BR-112021011095-A2 | IMIDAZO[1,2-B]PYRIDAZINE IL-17A INHIBITORS | 20190107 |
JP-2022516654-A | Imidazo [1,2-B] pyridazine IL-17A inhibitor | 20190107 |
US-2022073526-A1 | Il-17a inhibitors | 20190107 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.99867741 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.99867741 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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