| CAS Number | 1420800-37-8 |
| Catalog Number | AG009X34(AGN-PC-0WA86X) |
| Chemical Name | 3-Bromo-4-(ethylamino)-5-nitrobenzonitrile |
| IUPAC Name | 3-bromo-4-(ethylamino)-5-nitrobenzonitrile |
| InChI | InChI=1S/C9H8BrN3O2/c1-2-12-9-7(10)3-6(5-11)4-8(9)13(14)15/h3-4,12H,2H2,1H3 |
| InChI Key | QDOQBNSEYVUOSV-UHFFFAOYSA-N |
| MDL Number | MFCD22689134 |
| Molecular Formula | C9H8BrN3O2 |
| Molecular Weight | 270.0827 |
| SMILES | CCNc1c(Br)cc(cc1[N+](=O)[O-])C#N |
| Synonyms | 3-BROMO-4-(ETHYLAMINO)-5-NITROBENZONITRILE,
1420800-37-8,
KM5722,
ZINC95496075,
AKOS026673337,
V3160,
C9H8BrN3O2,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.086g/mol |
| Monoisotopic Mass | 268.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number