| CAS Number | 1698117-49-5 |
| Catalog Number | AG01FR0D(AGN-PC-3H5PC6) |
| Chemical Name | 2-bromo-4-methyl-5-nitrobenzoic acid |
| IUPAC Name | 2-bromo-4-methyl-5-nitrobenzoic acid |
| InChI | InChI=1S/C8H6BrNO4/c1-4-2-6(9)5(8(11)12)3-7(4)10(13)14/h2-3H,1H3,(H,11,12) |
| InChI Key | VIOCYPKFZICVGV-UHFFFAOYSA-N |
| MDL Number | MFCD28745199 |
| Molecular Formula | C8H6BrNO4 |
| Molecular Weight | 260.0415 |
| SMILES | |
| Synonyms | 2-Bromo-4-methyl-5-nitrobenzoic acid,
1698117-49-5,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.94802g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.04g/mol |
| Monoisotopic Mass | 258.94802g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number