Ethyl 6-oxo-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarboxylate
기본 정보
- CAS
478067-01-5- 표준 SMILES
CCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1C(F)(F)F- InChIKey
KCNYQYUFGRAIFB-UHFFFAOYSA-N- 분자식
- C15H10F6N2O3
- 평균 분자량
- 380.24 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 6-oxo-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarboxylate
- IUPAC
- ethyl 6-oxo-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
- 영어명
- Ethyl 6-oxo-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarboxylate
- 분자식
- C15H10F6N2O3
- 분자량
- 380.24
이름 및 동의어
478067-01-5ethyl 6-oxo-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarboxylateethyl 6-oxo-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylateethyl 6-oxo-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxylateEthyl 6-oxo-4-(trifluoromethyl)-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxylateBionet1_003798HMS579J20MFCD02082932AKOS0051011147M-576Sethyl6-oxo-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxylate3-Pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-, ethyl ester
데이터베이스 식별자
- CAS
478067-01-5
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 59 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 638
물리화학적 성질
- 끓는 점
- 354.8 · 354.8±52.0 °C(Predicted)
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.95 · -3.95±0.60(Predicted)
관련 반응
0건
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