| CAS Number | 78887-37-3 |
| Catalog Number | AG003ISL(AGN-PC-0WA7YH) |
| Chemical Name | 3-Acetamido-4-nitrophenylboronic acid |
| IUPAC Name | (3-acetamido-4-nitrophenyl)boronic acid |
| InChI | InChI=1S/C8H9BN2O5/c1-5(12)10-7-4-6(9(13)14)2-3-8(7)11(15)16/h2-4,13-14H,1H3,(H,10,12) |
| InChI Key | ADVXLCMYNUPALJ-UHFFFAOYSA-N |
| MDL Number | MFCD12025959 |
| Molecular Formula | C8H9BN2O5 |
| Molecular Weight | 223.9785 |
| SMILES | CC(=O)Nc1cc(ccc1[N+](=O)[O-])B(O)O |
| Synonyms | 78887-37-3,
3-ACETAMIDO-4-NITROPHENYLBORONIC ACID,
(3-Acetamido-4-nitrophenyl)boronic acid,
ACMC-209pfr,
CTK5E6191,
DTXSID90674557,
ANW-37237,
MFCD12025959,
AKOS015837700,
ZINC169904013,
CA-2150,
OR360603,
AX8209699,
TR-025175,
X2264,
A-3623,
I04-1987,
C8H9BN2O5,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.979g/mol |
| Monoisotopic Mass | 224.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 115A^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