| CAS Number | 1806979-60-1 |
| Catalog Number | AG00I05P |
| Chemical Name | 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene |
| IUPAC Name | 1-bromo-3-fluoro-2-methyl-4-nitrobenzene |
| InChI | InChI=1S/C7H5BrFNO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3 |
| InChI Key | QBGAYJKEQXTZQS-UHFFFAOYSA-N |
| MDL Number | MFCD27935488 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | BrC1=C(C(=C(C=C1)[N+](=O)[O-])F)C |
| Synonyms | 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene,
1806979-60-1,
6-Bromo-2-fluoro-3-nitrotoluene,
ZINC97756618,
FCH2502377,
PC501226,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.024g/mol |
| Monoisotopic Mass | 232.949g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number