| CAS Number | 1805575-94-3 |
| Catalog Number | AG00I047(AGN-PC-0WQWMP) |
| Chemical Name | 1-Bromo-2-chloro-4-fluoro-3-nitrobenzene |
| IUPAC Name | 1-bromo-2-chloro-4-fluoro-3-nitrobenzene |
| InChI | InChI=1S/C6H2BrClFNO2/c7-3-1-2-4(9)6(5(3)8)10(11)12/h1-2H |
| InChI Key | QWYYHPXBAHLFAN-UHFFFAOYSA-N |
| MDL Number | MFCD28733961 |
| Molecular Formula | C6H2BrClFNO2 |
| Molecular Weight | 254.4410 |
| SMILES | [O-][N+](=O)c1c(F)ccc(c1Cl)Br |
| Synonyms | 1-Bromo-2-chloro-4-fluoro-3-nitrobenzene,
1805575-94-3,
SCHEMBL20797684,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.894g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.439g/mol |
| Monoisotopic Mass | 252.894g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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