| CAS Number | 1393441-69-4 |
| Catalog Number | AG009WVY(AGN-PC-0WNWPM) |
| Chemical Name | 1-Bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene |
| IUPAC Name | 1-bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene |
| InChI | InChI=1S/C9H9BrClNO4/c1-15-2-3-16-9-4-6(10)7(11)5-8(9)12(13)14/h4-5H,2-3H2,1H3 |
| InChI Key | TWNFDVCXFBHEQF-UHFFFAOYSA-N |
| MDL Number | MFCD22383652 |
| Molecular Formula | C9H9BrClNO4 |
| Molecular Weight | 310.5291 |
| SMILES | [O-][N+](=O)c1cc(Cl)c(cc1OCCOC)Br |
| Synonyms | 1-Bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene,
1393441-69-4,
C9H9BrClNO4,
ZINC95494767,
V2902,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.528g/mol |
| Monoisotopic Mass | 308.94g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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