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(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
한글명:(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
카스 번호2088771-61-1
상품명:(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
CBNumberCB23371367
분자식C16H13F6N5O2
포뮬러 무게421.3
MOL 파일2088771-61-1.mol
화학적 성질
녹는점 | >189°C (dec.) |
밀도 | 1.67±0.1 g/cm3(Predicted) |
저장 조건 | -20°C Freezer, Under inert atmosphere |
용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
산도 계수 (pKa) | 12.02±0.40(Predicted) |
물리적 상태 | 고체 |
물리적 상태 | 단단한 모양 |
색상 | 흰색에서 황백색까지 |
InChI | InChI=1S/C16H13F6N5O2/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)23-1-2-27-13(14(29)24-8)25-26-15(27)16(20,21)22/h4,6,8H,1-3,5H2,(H,23,28)(H,24,29)/t8-/m1/s1 |
InChIKey | CJUCSNDPMOGZTM-MRVPVSSYSA-N |
SMILES | N1[C@H](CC2=CC(F)=C(F)C=C2F)CC(=O)NCCN2C(C(F)(F)F)=NN=C2C1=O |