기본 정보
- CAS
383145-96-8- 표준 SMILES
FC(F)(F)c1cccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)c1- InChIKey
OAEODFVTRGVYCJ-UHFFFAOYSA-N- 분자식
- C23H16Cl2F3N3OS
- 평균 분자량
- 510.4 g/mol
- 단동위원소 질량
- 509.0343232
이름 및 식별자
- 우선 이름
- 3-[(2,4-dichlorobenzyl)sulfanyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
- IUPAC
- 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
- 영어명
- (5-[(2,4-DICHLOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL 3-(TRIFLUOROMETHYL)PHENYL ETHER
- 분자식
- C23H16Cl2F3N3OS
- 분자량
- 510.36
이름 및 동의어
383145-96-83-[(2,4-dichlorobenzyl)sulfanyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole3-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazoleAKOS00507628410R-12673-((2,4-Dichlorobenzyl)thio)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole3-[(2,4-DICHLOROBENZYL)SULFANYL]-4-PHENYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE{5-[(2,4-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl 3-(trifluoromethyl)phenyl ether(5-[(2,4-DICHLOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL 3-(TRIFLUOROMETHYL)PHENYL ETHER4H-1,2,4-Triazole, 3-[[(2,4-dichlorophenyl)methyl]thio]-4-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-
데이터베이스 식별자
- CAS
383145-96-8- PubChem CID
- 2766082
물성
구조 계산 물성
- 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
- 633 · 633.0±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.22 · 0.22±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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