| CAS Number | 1393442-61-9 |
| Catalog Number | AG009WVS(AGN-PC-0WNWPW) |
| Chemical Name | 1-Bromo-5-butoxy-2-chloro-4-nitrobenzene |
| IUPAC Name | 1-bromo-5-butoxy-2-chloro-4-nitrobenzene |
| InChI | InChI=1S/C10H11BrClNO3/c1-2-3-4-16-10-5-7(11)8(12)6-9(10)13(14)15/h5-6H,2-4H2,1H3 |
| InChI Key | YDUDUXNZIDETDE-UHFFFAOYSA-N |
| MDL Number | MFCD22383654 |
| Molecular Formula | C10H11BrClNO3 |
| Molecular Weight | 308.5562 |
| SMILES | [O-][N+](=O)c1cc(Cl)c(cc1OCCCC)Br |
| Synonyms | 1-Bromo-5-butoxy-2-chloro-4-nitrobenzene,
1393442-61-9,
ZINC95494770,
V2966,
C10H11BrClNO3,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.556g/mol |
| Monoisotopic Mass | 306.961g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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