| Canonical Smiles | C(C1=C(N=C(N=C1Cl)Cl)Cl)Br |
|---|---|
| IUPAC Name | 5-(bromomethyl)-2,4,6-trichloropyrimidine |
| InChIKey | MTJKSXNANQVPIO-UHFFFAOYSA-N |
| INCHI | 1S/C5H2BrCl3N2/c6-1-2-3(7)10-5(9)11-4(2)8/h1H2 |
| Molecular Weight | 276.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Halopyrimidines |
| Direct Parent | 2-halopyrimidines |
| Alternative Parents | Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 276.300 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 273.847 Da |
| Monoisotopic Mass | 273.847 Da |
| Topological Polar Surface Area | 25.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 125.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
