| CAS Number | 1807209-44-4 |
| Catalog Number | AG00I06M(AGN-PC-0WG38C) |
| Chemical Name | 2-Bromo-6-methyl-4-nitrobenzoic acid |
| IUPAC Name | 2-bromo-6-methyl-4-nitrobenzoic acid |
| InChI | InChI=1S/C8H6BrNO4/c1-4-2-5(10(13)14)3-6(9)7(4)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | OEZGSEGSWSTHCF-UHFFFAOYSA-N |
| MDL Number | MFCD28745203 |
| Molecular Formula | C8H6BrNO4 |
| Molecular Weight | 260.0415 |
| SMILES | O=C(O)C1=C(C)C=C([N+]([O-])=O)C=C1Br |
| Synonyms | 2-Bromo-6-methyl-4-nitrobenzoic acid,
1807209-44-4,
KS-00000LOR,
MFCD28745203,
ZINC306978223,
AK383066,
DS-12861,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.043g/mol |
| Monoisotopic Mass | 258.948g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number