| CAS Number | 929000-30-6 |
| Catalog Number | AG003SZA(AGN-PC-0W26A3) |
| Chemical Name | N-Ethyl 3-bromo-5-nitrobenzamide |
| IUPAC Name | 3-bromo-N-ethyl-5-nitrobenzamide |
| InChI | InChI=1S/C9H9BrN2O3/c1-2-11-9(13)6-3-7(10)5-8(4-6)12(14)15/h3-5H,2H2,1H3,(H,11,13) |
| InChI Key | BHIIECOOMQPQDV-UHFFFAOYSA-N |
| MDL Number | MFCD09258762 |
| Molecular Formula | C9H9BrN2O3 |
| Molecular Weight | 273.0834 |
| SMILES | CCNC(=O)c1cc(Br)cc(c1)[N+](=O)[O-] |
| Synonyms | 3-Bromo-N-ethyl-5-nitrobenzamide,
929000-30-6,
N-Ethyl 3-bromo-5-nitrobenzamide,
ACMC-209rin,
CTK5H1854,
DTXSID60650388,
N-ethyl-3-bromo-5-nitrobenzamide,
ZX-AT012117,
5706AC,
ANW-39933,
MFCD09258762,
OR8312,
ZINC16125211,
AKOS015834195,
RTR-029114,
AJ-68422,
AX8242966,
TR-029114,
B-5448,
I01-11015,
C9H9BrN2O3,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.086g/mol |
| Monoisotopic Mass | 271.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number