| CAS Number | 73536-37-5 |
| Catalog Number | AG01C83M |
| Chemical Name | 5-Amino-2-nitrobenzamide |
| IUPAC Name | 5-amino-2-nitrobenzamide |
| InChI | InChI=1S/C7H7N3O3/c8-4-1-2-6(10(12)13)5(3-4)7(9)11/h1-3H,8H2,(H2,9,11) |
| InChI Key | CCEJTEOJAKTTFU-UHFFFAOYSA-N |
| MDL Number | MFCD12828552 |
| Molecular Formula | C7H7N3O3 |
| Molecular Weight | 181.1488 |
| SMILES | NC(C1=C([N+]([O-])=O)C=CC(N)=C1)=O |
| Synonyms | 5-amino-2-nitrobenzamide,
73536-37-5,
2-Nitro-5-aminobenzamide,
Benzamide, 5-amino-2-nitro-,
SCHEMBL8994310,
ZINC39248554,
AKOS011436371,
TL80090350,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.151g/mol |
| Monoisotopic Mass | 181.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number