2-Formyl-4-nitrophenylboronic Acid Pinacol Ester - CAS 1351054-91-5
Catalog: |
BB064562 |
Product Name: |
2-Formyl-4-nitrophenylboronic Acid Pinacol Ester |
CAS: |
1351054-91-5 |
Synonyms: |
2-Formyl-4-nitrophenylboronic acid pinacol ester; 5-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
IUPAC Name: | 5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
Description: | 2-Formyl-4-nitrophenylboronic Acid Pinacol Ester |
Molecular Weight: | 277.08 |
Molecular Formula: | C13H16BNO5 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)[N+](=O)[O-])C=O |
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 |
Complexity: | 390 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.1121528 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.1121528 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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