| CAS Number | 89642-23-9 |
| Catalog Number | AG00IFSD(AGN-PC-0VPD8P) |
| Chemical Name | 5-bromo-2-nitrobenzamide |
| IUPAC Name | 5-bromo-2-nitrobenzamide |
| InChI | InChI=1S/C7H5BrN2O3/c8-4-1-2-6(10(12)13)5(3-4)7(9)11/h1-3H,(H2,9,11) |
| InChI Key | SGFOXBODMLDOCU-UHFFFAOYSA-N |
| MDL Number | MFCD12913489 |
| Molecular Formula | C7H5BrN2O3 |
| Molecular Weight | 245.0302 |
| NSC Number | 263835 |
| SMILES | Brc1ccc(c(c1)C(=O)N)[N+](=O)[O-] |
| Synonyms | 5-bromo-2-nitrobenzamide,
89642-23-9,
NSC263835,
AC1L80FO,
Benzamide, 5-bromo-2-nitro-,
DTXSID90312886,
ZINC1558605,
BENZAMIDE,5-BROMO-2-NITRO-,
FCH1378399,
NSC-263835,
AX8331331,
TL80090374,
CID319530,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.032g/mol |
| Monoisotopic Mass | 243.948g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number