| CAS Number | 894789-51-6 |
| Catalog Number | AG01B7BC(AGN-PC-0CIUH8) |
| Chemical Name | 7-Fluoro-1,2-benzoxazole-3-carboxylic acid |
| IUPAC Name | 7-fluoro-1,2-benzoxazole-3-carboxylic acid |
| InChI | InChI=1S/C8H4FNO3/c9-5-3-1-2-4-6(8(11)12)10-13-7(4)5/h1-3H,(H,11,12) |
| InChI Key | SALREZVATWXFST-UHFFFAOYSA-N |
| MDL Number | MFCD20659044 |
| Molecular Formula | C8H4FNO3 |
| Molecular Weight | 181.1207 |
| SMILES | OC(C1C2=C(C(=CC=C2)F)ON=1)=O |
| Synonyms | 7-fluoro-1,2-benzoxazole-3-carboxylic acid,
894789-51-6,
1,2-Benzisoxazole-3-carboxylic acid, 7-fluoro-,
SCHEMBL13209719,
AKOS034006735,
ZINC200693560,
Z2736475444,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.122g/mol |
| Monoisotopic Mass | 181.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number