| CAS Number | 1351054-91-5 |
| Catalog Number | AG00HTVU(AGN-PC-0WNRE5) |
| Chemical Name | 2-Formyl-4-nitrophenylboronic acid pinacol ester |
| IUPAC Name | 5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI | InChI=1S/C13H16BNO5/c1-12(2)13(3,4)20-14(19-12)11-6-5-10(15(17)18)7-9(11)8-16/h5-8H,1-4H3 |
| InChI Key | WKXQJVCGMUZAQZ-UHFFFAOYSA-N |
| MDL Number | MFCD22493739 |
| Molecular Formula | C13H16BNO5 |
| Molecular Weight | 277.0808 |
| SMILES | [N+](=O)([O-])C=1C=CC(=C(C=O)C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1351054-91-5,
2-Formyl-4-nitrophenylboronic acid pinacol ester,
5-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde,
ZINC170006965,
WKXQJVCGMUZAQZ-UHFFFAOYSA-N,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.083g/mol |
| Monoisotopic Mass | 277.112g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number