| CAS Number | 1126895-86-0 |
| Catalog Number | AG008SUR(AGN-PC-0WA9W5) |
| Chemical Name | (4-Acetyl-2-nitrophenyl)boronic acid |
| IUPAC Name | (4-acetyl-2-nitrophenyl)boronic acid |
| InChI | InChI=1S/C8H8BNO5/c1-5(11)6-2-3-7(9(12)13)8(4-6)10(14)15/h2-4,12-13H,1H3 |
| InChI Key | KERWITSFOARJGF-UHFFFAOYSA-N |
| MDL Number | MFCD16618934 |
| Molecular Formula | C8H8BNO5 |
| Molecular Weight | 208.9638 |
| SMILES | O=[N+](C1=CC(C(C)=O)=CC=C1B(O)O)[O-] |
| Synonyms | 4-ACETYL-2-NITROPHENYLBORONIC ACID,
1126895-86-0,
(4-Acetyl-2-nitrophenyl)boronic acid,
ACMC-2099g1,
SCHEMBL13977122,
CTK4A7929,
DTXSID70681668,
ANW-16511,
MFCD16618934,
AKOS015837760,
ZINC169934327,
OR360616,
TR-034087,
X1626,
A-3659,
I04-1979,
C8H8BNO5,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.964g/mol |
| Monoisotopic Mass | 209.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number