| CAS Number | 108485-02-5 |
| Catalog Number | AG01AGFE |
| Chemical Name | 7-Methyl-1,3-dihydro-2,1-benzoxaborol-1-ol |
| IUPAC Name | 1-hydroxy-7-methyl-3H-2,1-benzoxaborole |
| InChI | InChI=1S/C8H9BO2/c1-6-3-2-4-7-5-11-9(10)8(6)7/h2-4,10H,5H2,1H3 |
| InChI Key | BKTIWUOBYOQTHE-UHFFFAOYSA-N |
| MDL Number | MFCD22415419 |
| Molecular Formula | C8H9BO2 |
| Molecular Weight | 147.9669 |
| SMILES | CC1=C2C(COB2O)=CC=C1 |
| Synonyms | 108485-02-5,
7-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol,
FT-0701858,
SCHEMBL596709,
1,3-dihydro-1-hydroxy-7-methyl-2,1-Benzoxaborole,
BKTIWUOBYOQTHE-UHFFFAOYSA-N,
ZINC196570208,
DA-15765,
7-methyl-3H-benzo[c][1,2]oxaborol-1-ol,
7-methylbenzo[c][1,2]oxaborol-1(3h)-ol,
CS-0078584,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.968g/mol |
| Monoisotopic Mass | 148.07g/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