| CAS Number | 1701449-28-6 |
| Catalog Number | AG00HZDI |
| Chemical Name | 8-Fluoro-2,3-dihydro-1,4-benzoxazine-6-boronic acid |
| IUPAC Name | (8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid |
| InChI | InChI=1S/C8H9BFNO3/c10-6-3-5(9(12)13)4-7-8(6)14-2-1-11-7/h3-4,11-13H,1-2H2 |
| InChI Key | WDQWWPUHGOOVME-UHFFFAOYSA-N |
| MDL Number | MFCD20441849 |
| Molecular Formula | C8H9BFNO3 |
| Molecular Weight | 196.9714 |
| SMILES | OB(C1=CC2=C(OCCN2)C(F)=C1)O |
| Synonyms | 8-FLUORO-2,3-DIHYDRO-1,4-BENZOXAZINE-6-BORONIC ACID,
1701449-28-6,
KM3786,
MFCD20441849,
AKOS026673540,
ZINC169955659,
Y2895,
C8H9BFNO3,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.972g/mol |
| Monoisotopic Mass | 197.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number