| CAS Number | 1841080-51-0 |
| Catalog Number | AG01CAC4 |
| Chemical Name | 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| IUPAC Name | 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI | InChI=1S/C11H15BN2O4/c1-10(2)11(3,4)18-12(17-10)8-5-6-13-9(7-8)14(15)16/h5-7H,1-4H3 |
| InChI Key | CCELCAOXPGETKP-UHFFFAOYSA-N |
| MDL Number | MFCD11878182 |
| Molecular Formula | C11H15BN2O4 |
| Molecular Weight | 250.0588 |
| SMILES | CC1(C(C)(C)OB(C2=CC([N+]([O-])=O)=NC=C2)O1)C |
| Synonyms | 1841080-51-0,
2-NITRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE,
2-NITROPYRIDINE-4-BORONIC ACID PINACOL ESTER,
MFCD11878182,
AKOS030627851,
ZINC206101750,
MB10788,
PS-13087,
2-nitro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.061g/mol |
| Monoisotopic Mass | 250.112g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number