| CAS Number | 950029-19-3 |
| Catalog Number | AG019L01 |
| Chemical Name | 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoic acid |
| IUPAC Name | 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoic acid |
| InChI | InChI=1S/C16H10FNO3/c17-13-8-4-3-7-12(13)14-9-18-15(21-14)10-5-1-2-6-11(10)16(19)20/h1-9H,(H,19,20) |
| InChI Key | LGKCFCXPJGIKKH-UHFFFAOYSA-N |
| MDL Number | MFCD09802131 |
| Molecular Formula | C16H10FNO3 |
| Molecular Weight | 283.2539 |
| SMILES | OC(C1=C(C2OC(C3=C(F)C=CC=C3)=CN=2)C=CC=C1)=O |
| Synonyms | 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoic acid,
950029-19-3,
AC1Q724W,
CTK7I8971,
ZINC12760963,
AKOS033871753,
MCULE-9675175316,
NE35227,
NCGC00334265-01,
EN300-29217,
AB00798254-01,
AB00798254-03,
Z235362993,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.258g/mol |
| Monoisotopic Mass | 283.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number