4-Methyl-2-(trifluoromethyl)-5-oxazolecarboxylic Acid - CAS 1384265-64-8
Catalog: |
BB059576 |
Product Name: |
4-Methyl-2-(trifluoromethyl)-5-oxazolecarboxylic Acid |
CAS: |
1384265-64-8 |
Synonyms: |
4-METHYL-2-(TRIFLUOROMETHYL)OXAZOLE-5-CARBOXYLIC ACID; 4-methyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid; 4-Methyl-2-(trifluoromethyl)oxazole-5-carboxylicacid |
IUPAC Name: | 4-methyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid |
Description: | 4-Methyl-2-(trifluoromethyl)-5-oxazolecarboxylic Acid, is a building block used in the synthesis of various compounds. |
Molecular Weight: | 195.1 |
Molecular Formula: | C6H4F3NO3 |
Canonical SMILES: | CC1=C(OC(=N1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C6H4F3NO3/c1-2-3(4(11)12)13-5(10-2)6(7,8)9/h1H3,(H,11,12) |
InChI Key: | ABMDYGGRGUSDEN-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.01432748 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.01432748 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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