| CAS Number | 1072945-82-4 |
| Catalog Number | AG0090EX(AGN-PC-0WA9CE) |
| Chemical Name | 4-(4-Nitrophenoxy)phenylboronic acid |
| IUPAC Name | [4-(4-nitrophenoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H10BNO5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8,15-16H |
| InChI Key | QZAOUODGFHBSGZ-UHFFFAOYSA-N |
| MDL Number | MFCD10699618 |
| Molecular Formula | C12H10BNO5 |
| Molecular Weight | 259.0225 |
| SMILES | O=[N+](C1=CC=C(OC2=CC=C(B(O)O)C=C2)C=C1)[O-] |
| Synonyms | 4-(4-Nitrophenoxy)phenylboronic acid,
1072945-82-4,
(4-(4-Nitrophenoxy)phenyl)boronic acid,
[4-(4-nitrophenoxy)phenyl]boronic acid,
ACMC-2098qo,
SCHEMBL2561691,
CTK4A5207,
DTXSID70674439,
QZAOUODGFHBSGZ-UHFFFAOYSA-N,
ANW-15598,
AKOS015833425,
ZINC169903882,
RTR-001530,
OR360444,
AX8239997,
TR-001530,
Z7011,
A-4521,
I04-1714,
C12H10BNO5,
(4-(4-Nitrophenoxy)phenyl)boronicacid,
|
| Complexity | 293 |
| 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