| CAS Number | 1083246-33-6 |
| Catalog Number | AG00HB5D(AGN-PC-0WO6HJ) |
| Chemical Name | 5-(4-Fluorophenyl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 5-(4-fluorophenyl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C10H6FNO3/c11-7-3-1-6(2-4-7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14) |
| InChI Key | VXGVPBUIHUSJID-UHFFFAOYSA-N |
| MDL Number | MFCD07376155 |
| Molecular Formula | C10H6FNO3 |
| Molecular Weight | 207.1579 |
| SMILES | OC(C1=C(C2=CC=C(F)C=C2)OC=N1)=O |
| Synonyms | 1083246-33-6,
5-(4-fluorophenyl)-1,3-oxazole-4-carboxylic acid,
5-(4-FLUORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID,
5-(4-Fluorophenyl)oxazole-4-carboxylic acid,
SCHEMBL1167030,
DTXSID20680742,
VXGVPBUIHUSJID-UHFFFAOYSA-N,
MFCD07376155,
ZINC20441069,
AKOS010901901,
MCULE-9278674649,
NE25949,
AS-38432,
4-Oxazolecarboxylic acid, 5-(4-fluorophenyl)-,
F8889-2801,
Z1708090037,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.16g/mol |
| Monoisotopic Mass | 207.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number