3-Chloro-2-(3-(4-nitro-3-((phenylsulfonyl)methyl)phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine
기본 정보
- CAS
318247-40-4- 표준 SMILES
O=[N+]([O-])c1ccc(-c2ccn(-c3ncc(C(F)(F)F)cc3Cl)n2)cc1CS(=O)(=O)c1ccccc1- InChIKey
DUXCLXHGGZTLFI-UHFFFAOYSA-N- 분자식
- C22H14ClF3N4O4S
- 평균 분자량
- 522.9 g/mol
이름 및 식별자
- 우선 이름
- 3-Chloro-2-(3-(4-nitro-3-((phenylsulfonyl)methyl)phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine
- IUPAC
- 2-[3-[3-(benzenesulfonylmethyl)-4-nitrophenyl]pyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
- 영어명
- 3-Chloro-2-(3-(4-nitro-3-[(phenylsulfonyl)methyl]phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine
- 분자식
- C22H14ClF3N4O4S
- 분자량
- 522.88
이름 및 동의어
318247-40-43-Chloro-2-(3-(4-nitro-3-((phenylsulfonyl)methyl)phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine2-(3-{3-[(benzenesulfonyl)methyl]-4-nitrophenyl}-1H-pyrazol-1-yl)-3-chloro-5-(trifluoromethyl)pyridine2-[3-[3-(benzenesulfonylmethyl)-4-nitrophenyl]pyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridineAKOS0050898204J-9485-(1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-PYRAZOL-3-YL)-2-NITROBENZYL PHENYL SULFONE3-Chloro-2-(3-(4-nitro-3-[(phenylsulfonyl)methyl]phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridinePyridine, 3-chloro-2-[3-[4-nitro-3-[(phenylsulfonyl)methyl]phenyl]-1H-pyrazol-1-yl]-5-(trifluoromethyl)-
데이터베이스 식별자
- CAS
318247-40-4
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 847
물리화학적 성질
- 끓는 점
- 670.2 · 670.2±55.0 °C(Predicted)
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.7 · -3.70±0.39(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…