| CAS Number | 2060053-38-3 |
| Catalog Number | AG01B7BB |
| Chemical Name | methyl 7-fluoro-1,2-benzoxazole-3-carboxylate |
| IUPAC Name | methyl 7-fluoro-1,2-benzoxazole-3-carboxylate |
| InChI | InChI=1S/C9H6FNO3/c1-13-9(12)7-5-3-2-4-6(10)8(5)14-11-7/h2-4H,1H3 |
| InChI Key | ADHFMDRKPXGAJV-UHFFFAOYSA-N |
| MDL Number | MFCD30497527 |
| Molecular Formula | C9H6FNO3 |
| Molecular Weight | 195.1472 |
| SMILES | COC(C1C2=C(C(=CC=C2)F)ON=1)=O |
| Synonyms | methyl 7-fluoro-1,2-benzoxazole-3-carboxylate,
2060053-38-3,
ZINC536948624,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.149g/mol |
| Monoisotopic Mass | 195.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number