| CAS Number | 1072945-93-7 |
| Catalog Number | AG007ESC(AGN-PC-0WA7G6) |
| Chemical Name | 3-(4-Nitrophenoxy)phenylboronic acid |
| IUPAC Name | [3-(4-nitrophenoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H10BNO5/c15-13(16)9-2-1-3-12(8-9)19-11-6-4-10(5-7-11)14(17)18/h1-8,15-16H |
| InChI Key | LJQNBOHRIBZDAE-UHFFFAOYSA-N |
| MDL Number | MFCD09972103 |
| Molecular Formula | C12H10BNO5 |
| Molecular Weight | 259.0225 |
| SMILES | O(C1C=CC=C(B(O)O)C=1)C1C=CC(=CC=1)[N+](=O)[O-] |
| Synonyms | 1072945-93-7,
(3-(4-Nitrophenoxy)phenyl)boronic acid,
3-(4-Nitrophenoxy)phenylboronic acid,
[3-(4-nitrophenoxy)phenyl]boronic acid,
ACMC-2098qx,
SCHEMBL2562175,
CTK4A5215,
DTXSID20674404,
ANW-15607,
AKOS015833413,
ZINC169747442,
RTR-001539,
OR360341,
AX8229552,
ST2402294,
TR-001539,
Z7018,
A-4529,
I04-1715,
C12H10BNO5,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.024g/mol |
| Monoisotopic Mass | 259.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number