| CAS Number | 1355247-21-0 |
| Catalog Number | AG007ZJO(AGN-PC-0WNMPG) |
| Chemical Name | 4-Amino-3-bromo-5-nitrobenzamide |
| IUPAC Name | 4-amino-3-bromo-5-nitrobenzamide |
| InChI | InChI=1S/C7H6BrN3O3/c8-4-1-3(7(10)12)2-5(6(4)9)11(13)14/h1-2H,9H2,(H2,10,12) |
| InChI Key | LWMPRBCMKLSQEP-UHFFFAOYSA-N |
| MDL Number | MFCD21332917 |
| Molecular Formula | C7H6BrN3O3 |
| Molecular Weight | 260.0448 |
| SMILES | NC(=O)C1=CC(Br)=C(N)C(=C1)[N+]([O-])=O |
| Synonyms | 4-Amino-3-bromo-5-nitrobenzamide,
1355247-21-0,
ACMC-209c1r,
CTK8B0381,
DTXSID20742758,
ANW-19885,
MFCD21332917,
ZINC82046475,
AKOS016001187,
FCH1609352,
CJ-22011,
AJ-124170,
AX8240200,
TC-108630,
Z9966,
B-9278,
C7H6BrN3O3,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.047g/mol |
| Monoisotopic Mass | 258.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number