| CAS Number | 1774898-10-0 |
| Catalog Number | AG00HZPV(AGN-PC-0WR7LS) |
| Chemical Name | 3-Bromo-4-fluoro-5-nitrotoluene |
| IUPAC Name | 1-bromo-2-fluoro-5-methyl-3-nitrobenzene |
| InChI | InChI=1S/C7H5BrFNO2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3 |
| InChI Key | USAGAMCWHPIZIS-UHFFFAOYSA-N |
| MDL Number | MFCD26792617 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | Cc1cc(Br)c(c(c1)[N+](=O)[O-])F |
| Synonyms | 3-Bromo-4-fluoro-5-nitrotoluene,
1774898-10-0,
ZINC96024733,
AKOS026672036,
1-BROMO-2-FLUORO-5-METHYL-3-NITROBENZENE,
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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