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4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate - ≥97% , CAS No.740081-22-5
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GRADE & PURITY ≥97%
Storage
Room temperature
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Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥97%
Storage
Room temperature
Purity
≥97%
Names and Identifiers
| Canonical Smiles | CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC |
|---|---|
| IUPAC Name | [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate |
| InChIKey | YJNQYSVKLRFVQN-UHFFFAOYSA-N |
| INCHI | 1S/C17H13ClFN3O3/c1-9(23)25-15-6-10-13(7-14(15)24-2)20-8-21-17(10)22-12-5-3-4-11(18)16(12)19/h3-8H,1-2H3,(H,20,21,22) |
| Isomeric SMILES | CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC |
| PubChem CID | 57476867 |
| Molecular Weight | 361.8 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 361.800 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 361.063 Da |
| Monoisotopic Mass | 361.063 Da |
| Topological Polar Surface Area | 73.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 472.000 |
| 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 |
Solution Calculators
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