| CAS Number | 950271-35-9 |
| Catalog Number | AG01A1OK |
| Chemical Name | 3-(4-Fluorophenyl)-2,1-benzoxazole-5-carboxylic acid |
| IUPAC Name | 3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxylic acid |
| InChI | InChI=1S/C14H8FNO3/c15-10-4-1-8(2-5-10)13-11-7-9(14(17)18)3-6-12(11)16-19-13/h1-7H,(H,17,18) |
| InChI Key | ZALKVWRSKGRCEU-UHFFFAOYSA-N |
| MDL Number | MFCD16653372 |
| Molecular Formula | C14H8FNO3 |
| Molecular Weight | 257.2166 |
| SMILES | OC(C1=CC2C(=NOC=2C2=CC=C(F)C=C2)C=C1)=O |
| Synonyms | 3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxylic acid,
950271-35-9,
ZINC15830581,
AKOS015957305,
CCG-130314,
MCULE-1686268000,
NE18095,
3-(4-fluorophenyl)-2,1-benzisoxazole-5-carboxylic acid,
F2167-0180,
Z1483957024,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.22g/mol |
| Monoisotopic Mass | 257.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number