기본 정보
- CAS
477867-33-7- 표준 SMILES
O=C(OCCNc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl)c1cccc(C(F)(F)F)c1- InChIKey
IHDXBCHFKZPVND-UHFFFAOYSA-N- 분자식
- C20H14Cl2F3N3O3
- 평균 분자량
- 472.2 g/mol
이름 및 식별자
- 우선 이름
- 2-((5-Chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydro-4-pyridazinyl)amino)ethyl 3-(trifluoromethyl)benzenecarboxylate
- IUPAC
- 2-[[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]amino]ethyl 3-(trifluoromethyl)benzoate
- 영어명
- 2-([5-Chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydro-4-pyridazinyl]amino)ethyl 3-(trifluoromethyl)benzenecarboxylate
- 분자식
- C20H14Cl2F3N3O3
- 분자량
- 472.24
이름 및 동의어
477867-33-72-((5-Chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydro-4-pyridazinyl)amino)ethyl 3-(trifluoromethyl)benzenecarboxylate2-[[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]amino]ethyl 3-(trifluoromethyl)benzoate2-{[5-chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydropyridazin-4-yl]amino}ethyl 3-(trifluoromethyl)benzoate2-((5-Chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydropyridazin-4-yl)amino)ethyl 3-(trifluoromethyl)benzoateAKOS0050830431L-9012-{[5-chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydropyridazin-4-yl]amino}ethyl3-(trifluoromethyl)benzoate2-([5-Chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydro-4-pyridazinyl]amino)ethyl 3-(trifluoromethyl)benzenecarboxylateBenzoic acid, 3-(trifluoromethyl)-, 2-[[5-chloro-1-(3-chlorophenyl)-1,6-dihydro-6-oxo-4-pyridazinyl]amino]ethyl ester
데이터베이스 식별자
- CAS
477867-33-7
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 71 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 745
물리화학적 성질
- 끓는 점
- 547.7 · 547.7±60.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.21 · -1.21±0.20(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…