| CAS Number | 1256345-63-7 |
| Catalog Number | AG000O02(AGN-PC-0WA9W6) |
| Chemical Name | 4-Acetyl-3-nitrophenylboronic acid |
| IUPAC Name | (4-acetyl-3-nitrophenyl)boronic acid |
| InChI | InChI=1S/C8H8BNO5/c1-5(11)7-3-2-6(9(12)13)4-8(7)10(14)15/h2-4,12-13H,1H3 |
| InChI Key | PZXBGJTWRHMQQR-UHFFFAOYSA-N |
| MDL Number | MFCD16618928 |
| Molecular Formula | C8H8BNO5 |
| Molecular Weight | 208.9638 |
| SMILES | O=[N+](C1=CC(B(O)O)=CC=C1C(C)=O)[O-] |
| Synonyms | 4-ACETYL-3-NITROPHENYLBORONIC ACID,
1256345-63-7,
(4-Acetyl-3-nitrophenyl)boronic acid,
ACMC-209avh,
CTK4B4483,
DTXSID40681539,
ANW-18363,
AKOS015837771,
ZINC169933886,
OR360617,
TR-035140,
Boronic acid, B-(4-acetyl-3-nitrophenyl)-,
X1813,
A-3660,
I04-1975,
C8H8BNO5,
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| 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
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number