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CAS No.: | 56287-73-1 |
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Name: | 2-(fluoromethyl)-6-nitro-3-o-tolylquinazolin-4(3H)-one |
Molecular Structure: | |
Formula: | C16H12FN3O3 |
Molecular Weight: | 313.288 |
Synonyms: | 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-;2-(Fluoromethyl)-3-(2-methylphenyl)-6-nitro-4(3H)-quinazolinone; |
Density: | 1.39g/cm3 |
Melting Point: | 156-158 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 488.8oCat760mmHg |
Flash Point: | 249.4oC |
PSA: | 80.71000 |
LogP: | 3.59500 |
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The 2-(Fluoromethyl)-3-(2-methylphenyl)-6-nitro-3H-quinazolin-4-one with the cas number 56287-73-1, is also called 2-(Fluoromethyl)-3-(2-methylphenyl)-6-nitro-3H-quinazolin-4-one. The systematic name is 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-. Its classification code is Drug / Therapeutic Agent.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc2c(c1)nc(CF)n(c1c(cccc1)C)c2=O)[N+](=O)[O-]
(2)InChI: InChI=1/C16H12FN3O3/c1-10-4-2-3-5-14(10)19-15(9-17)18-13-7-6-11(20(22)23)8-12(13)16(19)21/h2-8H,9H2,1H3
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | > 300mg/kg (300mg/kg) | Journal of Medicinal Chemistry. Vol. 22, Pg. 95, 1979. |