| CAS Number | 52121-34-3 |
| Catalog Number | AG00DLEO(AGN-PC-03ODIY) |
| Chemical Name | 2-Bromo-1-ethyl-4-nitrobenzene |
| IUPAC Name | 2-bromo-1-ethyl-4-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h3-5H,2H2,1H3 |
| InChI Key | VLKVKCJZMXUFSL-UHFFFAOYSA-N |
| MDL Number | MFCD25964125 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | c1cc(c(cc1[N+](=O)[O-])Br)CC |
| Synonyms | 2-bromo-1-ethyl-4-nitrobenzene,
52121-34-3,
Benzene, 2-bromo-1-ethyl-4-nitro-,
3-bromo-4-ethylnitrobenzene,
3-bromo-4-ethyl-nitrobenzene,
SCHEMBL1684411,
1-Bromo-2-ethyl-5-nitrobenzene,
CTK1G3351,
DTXSID50625060,
VLKVKCJZMXUFSL-UHFFFAOYSA-N,
2-bromo-1-ethyl-4-nitro-benzene,
MFCD25964125,
ZINC91363985,
AKOS024262300,
AJ-131058,
4CH-022537,
ST24040057,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number