| CAS Number | 2096331-60-9 |
| Catalog Number | AG00IMP2(AGN-PC-3H4E9E) |
| Chemical Name | 3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| IUPAC Name | 3-nitro-5-(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)8-5-9(14(15)16)7-13-6-8/h5-7H,1-4H3 |
| InChI Key | JKVDJVVVLRHZNF-UHFFFAOYSA-N |
| MDL Number | MFCD11975320 |
| Molecular Formula | C11H15BN2O4 |
| Molecular Weight | 250.0588 |
| SMILES | CC1(C)C(C)(C)OB(C2=CN=CC([N+]([O-])=O)=C2)O1 |
| Synonyms | 3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
2096331-60-9,
5-NITROPYRIDIN-3-BORONIC ACID PINACOL ESTER,
KS-00000LN3,
ZINC206105723,
MB11420,
AK376588,
DS-12772,
5-NITROPYRIDINE-3-BORONIC ACID PINACOL ESTER,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.112487g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.06g/mol |
| Monoisotopic Mass | 250.112487g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number