3-[(3,4-dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
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기본 정보
- CAS
956165-79-0- 표준 SMILES
O=S(Cc1ccc(Cl)c(Cl)c1)c1nnc(COc2cccc(C(F)(F)F)c2)n1-c1ccccc1- InChIKey
FMGZLBSUBYBKGN-UHFFFAOYSA-N- 분자식
- C23H16Cl2F3N3O2S
- 평균 분자량
- 526.4 g/mol
- 단동위원소 질량
- 525.0292378
이름 및 식별자
- 우선 이름
- 3-[(3,4-dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
- IUPAC
- 3-[(3,4-dichlorophenyl)methylsulfinyl]-4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
- 영어명
- 3,4-DICHLOROBENZYL 4-PHENYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOL-3-YL SULFOXIDE
- 분자식
- C23H16Cl2F3N3O2S
- 분자량
- 526.36
이름 및 동의어
956165-79-03-[(3,4-dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole3-[(3,4-dichlorophenyl)methanesulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole3-[(3,4-dichlorophenyl)methylsulfinyl]-4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole3-((3,4-Dichlorobenzyl)sulfinyl)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazoleAKOS00507626910R-12633-[(3,4-DICHLOROBENZYL)SULFINYL]-4-PHENYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE3,4-DICHLOROBENZYL 4-PHENYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOL-3-YL SULFOXIDE4H-1,2,4-Triazole, 3-[[(3,4-dichlorophenyl)methyl]sulfinyl]-4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-
데이터베이스 식별자
- CAS
956165-79-0- PubChem CID
- 1482840
물성
구조 계산 물성보충 중
- XLogP
- 5.8
- 극성 표면적
- 76.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 686
물리화학적 성질
- 끓는 점
- 685.3 · 685.3±65.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.27 · -1.27±0.10(Predicted)
관련 반응
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