| CAS Number | 905710-55-6 |
| Catalog Number | AG01B4Y5 |
| Chemical Name | 6-fluoro-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol |
| IUPAC Name | 6-fluoro-1-hydroxy-3,4-dihydro-2,1-benzoxaborinine |
| InChI | InChI=1S/C8H8BFO2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-2,5,11H,3-4H2 |
| InChI Key | OBHRHSYGQBYLNH-UHFFFAOYSA-N |
| MDL Number | MFCD28009204 |
| Molecular Formula | C8H8BFO2 |
| Molecular Weight | 165.9573 |
| SMILES | B1(C2=C(CCO1)C=C(C=C2)F)O |
| Synonyms | CHEMBL214011,
6-fluoro-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol,
905710-55-6,
SCHEMBL500220,
SCHEMBL500221,
BDBM50370990,
ZINC170155316,
6-fluoro-1-hydroxy-3,4-dihydro-2,1-benzoxaborinine,
1H-2,1-Benzoxaborin, 6-fluoro-3,4-dihydro-1-hydroxy-,
CID11845934,
3-fluoro-7-hydroxy-8-oxa-7-borabicyclo[4.4.0]deca-2,4,11-triene,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.958g/mol |
| Monoisotopic Mass | 166.06g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number