≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)OCC1=NC2=C(C=C(C(=C2)Cl)CBr)C(=O)N1C |
|---|---|
| IUPAC Name | [6-(bromomethyl)-7-chloro-3-methyl-4-oxoquinazolin-2-yl]methyl acetate |
| InChIKey | PYOBIHWREXAQQA-UHFFFAOYSA-N |
| INCHI | 1S/C13H12BrClN2O3/c1-7(18)20-6-12-16-11-4-10(15)8(5-14)3-9(11)13(19)17(12)2/h3-4H,5-6H2,1-2H3 |
| Molecular Weight | 359.600 |
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 | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | Pyrimidones N-acyl amines Hydropyrimidines Benzenoids Heteroaromatic compounds Lactams Carboxylic acid esters Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Chloroalkenes Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Pyrimidone - Benzenoid - Pyrimidine - N-acyl-amine - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Lactam - Carboxylic acid ester - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 359.600 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 357.972 Da |
| Monoisotopic Mass | 357.972 Da |
| Topological Polar Surface Area | 59.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| 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 |
