| CAS Number | 131508-15-1 |
| Catalog Number | AG00HSJX(AGN-PC-0WNNOQ) |
| Chemical Name | 3-Amino-4-nitrobenzamide |
| IUPAC Name | 3-amino-4-nitrobenzamide |
| InChI | InChI=1S/C7H7N3O3/c8-5-3-4(7(9)11)1-2-6(5)10(12)13/h1-3H,8H2,(H2,9,11) |
| InChI Key | VIPAFEMXGAOTSV-UHFFFAOYSA-N |
| MDL Number | MFCD14584887 |
| Molecular Formula | C7H7N3O3 |
| Molecular Weight | 181.1488 |
| SMILES | NC(C1=CC(N)=C([N+]([O-])=O)C=C1)=O |
| Synonyms | 3-amino-4-nitrobenzamide,
131508-15-1,
SCHEMBL11493618,
ZINC38490552,
AKOS011976604,
MCULE-9129548835,
VU0549294-1,
L-3350,
F9995-0113,
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| 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 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number