| CAS Number | 947162-60-9 |
| Catalog Number | AG01C59L |
| Chemical Name | 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carbonitrile |
| IUPAC Name | 1-hydroxy-3H-2,1-benzoxaborole-6-carbonitrile |
| InChI | InChI=1S/C8H6BNO2/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-3,11H,5H2 |
| InChI Key | BVHJQLCNDBJUEC-UHFFFAOYSA-N |
| MDL Number | MFCD22571530 |
| Molecular Formula | C8H6BNO2 |
| Molecular Weight | 158.9497 |
| SMILES | OB1OCC2=C1C=C(C=C2)C#N |
| Synonyms | 947162-60-9,
1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carbonitrile,
1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonitrile,
SCHEMBL1232022,
BVHJQLCNDBJUEC-UHFFFAOYSA-N,
ZINC201310335,
CS-0078617,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.951g/mol |
| Monoisotopic Mass | 159.049g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number