| CAS Number | 1083401-22-2 |
| Catalog Number | AG00HB62(AGN-PC-0WO9I2) |
| Chemical Name | 5-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 5-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C10H6FNO3/c11-7-3-1-2-6(4-7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14) |
| InChI Key | PLKBCEKRBXOTJA-UHFFFAOYSA-N |
| MDL Number | MFCD07376193 |
| Molecular Formula | C10H6FNO3 |
| Molecular Weight | 207.1579 |
| SMILES | OC(C1=C(C2=CC(F)=CC=C2)OC=N1)=O |
| Synonyms | 1083401-22-2,
5-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid,
5-(3-FLUORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID,
5-(3-Fluorophenyl)oxazole-4-carboxylic acid,
SCHEMBL1167520,
DTXSID30712422,
PLKBCEKRBXOTJA-UHFFFAOYSA-N,
MFCD07376193,
ZINC20442775,
AKOS010901336,
MCULE-9544186301,
NE53891,
AS-38433,
EN300-90630,
4-Oxazolecarboxylic acid, 5-(3-fluorophenyl)-,
F8889-8379,
Z1262398494,
|
| Complexity | 249 |
| 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