기본 정보
- CAS
478246-10-5- 표준 SMILES
Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1-c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1- InChIKey
PJISMUUMMFUFSZ-UHFFFAOYSA-N- 분자식
- C25H16Cl3F3N2O2
- 평균 분자량
- 539.8 g/mol
이름 및 식별자
- 우선 이름
- 1-[3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-[(2,6-dichlorophenyl)methyl]-2-methylpyridin-4-one
- IUPAC
- 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-[(2,6-dichlorophenyl)methyl]-2-methylpyridin-4-one
- 영어명
- 1-(3-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)phenyl)-3-(2,6-dichlorobenzyl)-2-methyl-4(1H)-pyridinone
- 분자식
- C25H16Cl3F3N2O2
- 분자량
- 539.76
이름 및 동의어
478246-10-51-(3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-3-(2,6-dichlorobenzyl)-2-methyl-4(1H)-pyridinone1-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-3-[(2,6-dichlorophenyl)methyl]-2-methyl-1,4-dihydropyridin-4-one1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-[(2,6-dichlorophenyl)methyl]-2-methylpyridin-4-oneAKOS0051040849M-7431-(3-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)phenyl)-3-(2,6-dichlorobenzyl)-2-methyl-4(1H)-pyridinone4(1H)-Pyridinone, 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-[(2,6-dichlorophenyl)methyl]-2-methyl-
데이터베이스 식별자
- CAS
478246-10-5
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 42.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 827
물리화학적 성질
- 끓는 점
- 578.3 · 578.3±50.0 °C(Predicted)
- 밀도
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.87 · 2.87±0.50(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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