3-[(3,4-dichlorobenzyl)sulfanyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
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기본 정보
- CAS
383145-80-0- 표준 SMILES
FC(F)(F)c1cccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)c1- InChIKey
CXOYNDAEYMIICI-UHFFFAOYSA-N- 분자식
- C23H16Cl2F3N3OS
- 평균 분자량
- 510.4 g/mol
- 단동위원소 질량
- 509.0343232
이름 및 식별자
- 우선 이름
- 3-[(3,4-dichlorobenzyl)sulfanyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
- IUPAC
- 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
- 영어명
- (5-[(3,4-DICHLOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL 3-(TRIFLUOROMETHYL)PHENYL ETHER
- 분자식
- C23H16Cl2F3N3OS
- 분자량
- 510.36
이름 및 동의어
383145-80-03-[(3,4-dichlorobenzyl)sulfanyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole3-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazoleAKOS00507633910R-12543-[(3,4-DICHLOROBENZYL)SULFANYL]-4-PHENYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE{5-[(3,4-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl 3-(trifluoromethyl)phenyl ether(5-[(3,4-DICHLOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL 3-(TRIFLUOROMETHYL)PHENYL ETHER4H-1,2,4-Triazole, 3-[[(3,4-dichlorophenyl)methyl]thio]-4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-
데이터베이스 식별자
- CAS
383145-80-0- PubChem CID
- 2766079
물성
구조 계산 물성보충 중
- XLogP
- 7.1
- 극성 표면적
- 65.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 614
물리화학적 성질
- 끓는 점
- 634.7 · 634.7±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.25 · 0.25±0.10(Predicted)
관련 반응
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