| CAS Number | 35754-19-9 |
| Catalog Number | AG01EVOT(AGN-PC-3H480I) |
| Chemical Name | 3-Bromo-4,5-dichloronitrobenzene |
| IUPAC Name | 1-bromo-2,3-dichloro-5-nitrobenzene |
| InChI | InChI=1S/C6H2BrCl2NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H |
| InChI Key | RCABTKXOACXLOX-UHFFFAOYSA-N |
| MDL Number | MFCD26958723 |
| Molecular Formula | C6H2BrCl2NO2 |
| Molecular Weight | 270.8956 |
| SMILES | BrC=1C=C(C=C(C1Cl)Cl)[N+](=O)[O-] |
| Synonyms | 3-Bromo-4,5-dichloronitrobenzene,
1-bromo-2,3-dichloro-5-nitrobenzene,
35754-19-9,
STL508116,
ZINC96024834,
AKOS025130562,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.891g/mol |
| Monoisotopic Mass | 268.865g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number