| CAS Number | 1463053-91-9 |
| Catalog Number | AG001DV8(AGN-PC-0WCYVL) |
| Chemical Name | 2-Bromo-5-fluoro-1-methyl-3-nitrobenzene |
| IUPAC Name | 2-bromo-5-fluoro-1-methyl-3-nitrobenzene |
| InChI | InChI=1S/C7H5BrFNO2/c1-4-2-5(9)3-6(7(4)8)10(11)12/h2-3H,1H3 |
| InChI Key | JJYQADGOVHRHAY-UHFFFAOYSA-N |
| MDL Number | MFCD27975467 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | CC1=CC(=CC(=C1Br)[N+](=O)[O-])F |
| Synonyms | 2-Bromo-5-fluoro-1-methyl-3-nitrobenzene,
1463053-91-9,
SCHEMBL15286113,
2-Bromo-5-fluoro-3-nitrotoluene,
JJYQADGOVHRHAY-UHFFFAOYSA-N,
MFCD27975467,
ZINC97447195,
FCH2511917,
AS-36737,
PC500345,
AX8271815,
Benzene, 2-bromo-5-fluoro-1-methyl-3-nitro-,
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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