(S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate
기본 정보
- CAS
870823-09-9- 표준 SMILES
CCOC(=O)c1ccc([C@H](C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2OS(=O)(=O)C(F)(F)F)cc1- InChIKey
AXQYETYTUKRFPY-LBPRGKRZSA-N- 분자식
- C21H17Cl2F3N2O5S
- 평균 분자량
- 537.3 g/mol
- 단동위원소 질량
- 536.0187327
이름 및 식별자
- 우선 이름
- (S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate
- IUPAC
- ethyl 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)pyrazol-1-yl]ethyl]benzoate
- 영어명
- (S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoroMethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate
- 분자식
- C21H17Cl2F3N2O5S
- 분자량
- 537.34
이름 및 동의어
870823-09-9(S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoateethyl 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)pyrazol-1-yl]ethyl]benzoate(S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazol-1-yl)ethyl)benzoateC21H17Cl2F3N2O5SSCHEMBL2644434DTXSID501105399CS-M1360MFCD22124658AKOS037649916CS-13879DB-236675
이름 더 보기
(S)-ethyl4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoateBenzoic acid, 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-[[(trifluoromethyl)sulfonyl]oxy]-1H-pyrazol-1-yl]ethyl]-, ethyl esterEthyl 4-[(1S)-1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H- pyrazol-1-yl)ethyl]benzoateethyl 4-[(1S)-1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]benzoate
데이터베이스 식별자
- CAS
870823-09-9- PubChem CID
- 71650815
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 795
물리화학적 성질
- 끓는 점
- 616.2 · 616.2±55.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.89 · -1.89±0.10(Predicted)
관련 반응
2건
화합물 노트
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