| CAS Number | 1072945-95-9 |
| Catalog Number | AG007ESB(AGN-PC-0WA790) |
| Chemical Name | 3-(2-Nitrophenoxy)Phenylboronic Acid |
| IUPAC Name | [3-(2-nitrophenoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H10BNO5/c15-13(16)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)14(17)18/h1-8,15-16H |
| InChI Key | VXKDGJZAMJMTPY-UHFFFAOYSA-N |
| MDL Number | MFCD09972105 |
| Molecular Formula | C12H10BNO5 |
| Molecular Weight | 259.0225 |
| SMILES | O(C1C=CC=C(B(O)O)C=1)C1=CC=CC=C1[N+](=O)[O-] |
| Synonyms | 1072945-95-9,
(3-(2-Nitrophenoxy)phenyl)boronic acid,
3-(2-Nitrophenoxy)phenylboronic acid,
[3-(2-nitrophenoxy)phenyl]boronic acid,
ACMC-2098qz,
SCHEMBL2553830,
CTK4A5217,
DTXSID50674336,
ANW-15609,
AKOS015833514,
ZINC169747444,
RTR-001541,
OR360342,
AX8229554,
ST2402290,
TR-001541,
Z7020,
A-4531,
I04-1713,
C12H10BNO5,
(3-(2-Nitrophenoxy)phenyl)boronicacid,
|
| Complexity | 309 |
| 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