2-Chloro-4-phenylquinazoline - CAS 29874-83-7
Catalog: |
BB020360 |
Product Name: |
2-Chloro-4-phenylquinazoline |
CAS: |
29874-83-7 |
Synonyms: |
2-chloro-4-phenylquinazoline; 2-chloro-4-phenylquinazoline |
IUPAC Name: | 2-chloro-4-phenylquinazoline |
Description: | 2-Chloro-4-phenylquinazoline acts as a reagent in the synthesis of MTH1 inhibitors that are potential cancer eradicators. |
Molecular Weight: | 240.69 |
Molecular Formula: | C14H9ClN2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)Cl |
InChI: | InChI=1S/C14H9ClN2/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9H |
InChI Key: | SFKMVPQJJGJCMI-UHFFFAOYSA-N |
Boiling Point: | 347.4 °C at 760 mmHg |
Density: | 1.285 g/cm3 |
Solubility: | 17.6 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Solid |
LogP: | 3.95020 |
Publication Number | Title | Priority Date |
CN-113354624-A | Organic compound and organic light-emitting device using same | 20210710 |
CN-113480529-A | Organic compound and organic photoelectric element using same | 20210610 |
CN-113501824-A | Fused heterocyclic organic compound and organic photoelectric element using same | 20210610 |
CN-113307764-A | Compound, electron transport material, organic electroluminescent device and display device | 20210508 |
CN-113321641-A | Compound, electron transport material, organic electroluminescent device and display device | 20210508 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.045426 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.045426 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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