| CAS Number | 885007-62-5 |
| Catalog Number | AG00IF46(AGN-PC-0OLQ9B) |
| Chemical Name | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(5-nitro-1-naphthalenyl)- |
| IUPAC Name | (5-nitronaphthalen-1-yl)boronic acid |
| InChI | InChI=1S/C10H8BNO4/c13-11(14)9-5-1-4-8-7(9)3-2-6-10(8)12(15)16/h1-6,13-14H |
| InChI Key | RUOYOYRRCNVZAM-UHFFFAOYSA-N |
| MDL Number | MFCD25953902 |
| Molecular Formula | C16H18BNO4 |
| Molecular Weight | 299.1294 |
| SMILES | O=[N+](C1=CC=CC2=C(B3OC(C)(C)C(C)(C)O3)C=CC=C12)[O-] |
| Synonyms | 5-Nitronaphthalene-1-boronic acid,
(5-Nitronaphthalen-1-yl)boronic acid,
885007-62-5,
C10H8BNO4,
AKOS025293839,
ZINC170002580,
OR361510,
V8630,
V9963,
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(5-nitro-1-naphthalenyl)-,
N/A,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.987g/mol |
| Monoisotopic Mass | 217.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number