| CAS Number | 20098-47-9 |
| Catalog Number | AG00I3R3(AGN-PC-0O72DU) |
| Chemical Name | Benzene, 1,3-dibromo-2-chloro-5-nitro- |
| IUPAC Name | 1,3-dibromo-2-chloro-5-nitrobenzene |
| InChI | InChI=1S/C6H2Br2ClNO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H |
| InChI Key | BAHAFZIGAXKLGK-UHFFFAOYSA-N |
| MDL Number | MFCD21605369 |
| Molecular Formula | C6H2Br2ClNO2 |
| Molecular Weight | 315.3466 |
| SMILES | c1c(cc(c(c1Br)Cl)Br)N(=O)=O |
| Synonyms | 1,3-dibromo-2-chloro-5-nitrobenzene,
20098-47-9,
BBL034096,
STL387866,
ZINC98063972,
AKOS025121995,
MCULE-7990261966,
H7726,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.812g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.345g/mol |
| Monoisotopic Mass | 312.814g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number