| CAS Number | 1393442-06-2 |
| Catalog Number | AG009WVX(AGN-PC-0WNWPQ) |
| Chemical Name | 1-Bromo-2-chloro-5-ethoxy-4-nitrobenzene |
| IUPAC Name | 1-bromo-2-chloro-5-ethoxy-4-nitrobenzene |
| InChI | InChI=1S/C8H7BrClNO3/c1-2-14-8-3-5(9)6(10)4-7(8)11(12)13/h3-4H,2H2,1H3 |
| InChI Key | DQUYNYJGMFTJFF-UHFFFAOYSA-N |
| MDL Number | MFCD22383749 |
| Molecular Formula | C8H7BrClNO3 |
| Molecular Weight | 280.5031 |
| SMILES | CCOc1cc(Br)c(cc1[N+](=O)[O-])Cl |
| Synonyms | 1-BROMO-2-CHLORO-5-ETHOXY-4-NITROBENZENE,
1393442-06-2,
KM4030,
ZINC95495736,
AKOS026673173,
V2925,
C8H7BrClNO3,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.502g/mol |
| Monoisotopic Mass | 278.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number