| CAS Number | 116277-60-2 |
| Catalog Number | AG00JJL2(AGN-PC-08XZ2O) |
| Chemical Name | 2-Chloro-3-bromo-5-nitrotoluene |
| IUPAC Name | 1-bromo-2-chloro-3-methyl-5-nitrobenzene |
| InChI | InChI=1S/C7H5BrClNO2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,1H3 |
| InChI Key | ALRMZVIRRGMVRF-UHFFFAOYSA-N |
| MDL Number | MFCD11846020 |
| Molecular Formula | C7H5BrClNO2 |
| Molecular Weight | 250.4771 |
| SMILES | [N+](=O)([O-])C1=CC(Br)=C(Cl)C(C)=C1 |
| Synonyms | 2-Chloro-3-bromo-5-nitrotoluene,
116277-60-2,
3-Bromo-2-chloro-5-nitrotoluene,
1-bromo-2-chloro-3-methyl-5-nitrobenzene,
BBL035045,
STL426682,
ZINC36532862,
AKOS025261058,
AS03676,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.476g/mol |
| Monoisotopic Mass | 248.919g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number