≥99% 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 | C1COCC1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-nitro-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine |
| InChIKey | UXAZURVGMXJLSO-NSHDSACASA-N |
| INCHI | 1S/C18H14ClFN4O4/c19-13-5-10(1-2-14(13)20)23-18-12-6-16(24(25)26)17(7-15(12)21-9-22-18)28-11-3-4-27-8-11/h1-2,5-7,9,11H,3-4,8H2,(H,21,22,23)/t11-/m0/s1 |
| Isomeric SMILES | C1COC[C@H]1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-] |
| PubChem CID | 54376755 |
| Molecular Weight | 404.78 |
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 | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Aniline and substituted anilines Nitroaromatic compounds Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organochlorides Organofluorides Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Nitroaromatic compound - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Tetrahydrofuran - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Organic oxoazanium - Secondary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic zwitterion - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
| Molecular Weight | 404.800 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 404.069 Da |
| Monoisotopic Mass | 404.069 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 556.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
