기본 정보
- CAS
860784-86-7- 표준 SMILES
Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1F- InChIKey
OJZNTXVDQRSOSK-UHFFFAOYSA-N- 분자식
- C17H13F4N3O
- 평균 분자량
- 351.3 g/mol
이름 및 식별자
- 우선 이름
- 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 4-(2-fluorophenyl)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one
- 영어명
- 4-(2-Fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- 분자식
- C17H13F4N3O
- 분자량
- 351.3
이름 및 동의어
860784-86-74-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one4-(2-fluorophenyl)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one4-(2-fluorophenyl)-3-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one4-(2-Fluorophenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-oneAKOS00508143012T-03263H-1,2,4-Triazol-3-one, 4-(2-fluorophenyl)-2,4-dihydro-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-
데이터베이스 식별자
- CAS
860784-86-7
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 35.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 536
물리화학적 성질
- 끓는 점
- 387 · 387.0±52.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.72 · 1.72±0.20(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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