| CAS Number | 1736-18-1 |
| Catalog Number | AG00HZMA |
| Chemical Name | 3-(3-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid |
| IUPAC Name | 3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15) |
| InChI Key | BOTWBGBHYPTPRX-UHFFFAOYSA-N |
| MDL Number | MFCD07376099 |
| Molecular Formula | C11H8FNO3 |
| Molecular Weight | 221.1845 |
| SMILES | CC1=C(C(O)=O)C(C2=CC(F)=CC=C2)=NO1 |
| Synonyms | 3-(3-fluorophenyl)-5-methylisoxazole-4-carboxylic acid,
1736-18-1,
3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid,
3-(3-fluorophenyl)-5-methylisoxazol-4-carboxylic acid,
SCHEMBL4594713,
DTXSID70634250,
BOTWBGBHYPTPRX-UHFFFAOYSA-N,
MFCD07376099,
ZINC19682376,
AKOS013476837,
AS-38324,
F1907-0509,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.187g/mol |
| Monoisotopic Mass | 221.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number