기본 정보
- CAS
303151-86-2- 표준 SMILES
FC(F)(F)c1cnc(Sc2ncn(-c3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n3)n2)c(Cl)c1- InChIKey
WWJCIPDIIPMYFW-UHFFFAOYSA-N- 분자식
- C18H6ClF9N6S
- 평균 분자량
- 544.8 g/mol
- 단동위원소 질량
- 543.9919465
이름 및 식별자
- 우선 이름
- 7-(3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-2,4-bis(trifluoromethyl)[1,8]naphthyridine
- IUPAC
- 7-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazol-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
- 영어명
- 1,8-Naphthyridine,7-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1H-1,2,4-triazol-1-yl]-2,4-bis(trifluoromethyl)-(9CI)
- 분자식
- C18H6ClF9N6S
- 분자량
- 544.78
이름 및 동의어
303151-86-27-(3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-2,4-bis(trifluoromethyl)[1,8]naphthyridine7-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1H-1,2,4-triazol-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine7-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2,4-triazol-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridineAKOS005077560DB-26767411H-0131,8-NAPHTHYRIDINE, 7-[3-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]THIO]-1H-1,2,4-TRIAZOL-1-YL]-2,4-BIS(TRIFLUOROMETHYL)-7-(3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-1H-1,2,4-triazol-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine1,8-Naphthyridine,7-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1H-1,2,4-triazol-1-yl]-2,4-bis(trifluoromethyl)-(9CI)
데이터베이스 식별자
- CAS
303151-86-2- PubChem CID
- 2767102
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 94.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 741
물리화학적 성질
- 끓는 점
- 546.4 · 546.4±60.0 °C(Predicted)
- 밀도
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.31 · -2.31±0.50(Predicted)
화학 및 산업
공급사1 곳
CHEMSTEP[email protected]
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