기본 정보
- CAS
318289-04-2- 표준 SMILES
Cn1nc(-c2ccccc2)c(COC(=O)c2cccc(C(F)(F)F)c2)c1S(=O)(=O)c1ccc(Cl)cc1- InChIKey
VZNDIEJCOPKWRA-UHFFFAOYSA-N- 분자식
- C25H18ClF3N2O4S
- 평균 분자량
- 534.9 g/mol
이름 및 식별자
- 우선 이름
- [5-(4-Chlorophenyl)sulfonyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate
- IUPAC
- [5-(4-chlorophenyl)sulfonyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate
- 영어명
- (5-[(4-Chlorophenyl)sulfonyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate
- 분자식
- C25H18ClF3N2O4S
- 분자량
- 534.93
이름 및 동의어
318289-04-2[5-(4-chlorobenzenesulfonyl)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate[5-(4-chlorophenyl)sulfonyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate{5-[(4-chlorophenyl)sulfonyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl 3-(trifluoromethyl)benzenecarboxylateAKOS0050946685K-302S[5-(4-chlorobenzenesulfonyl)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl3-(trifluoromethyl)benzoate(5-[(4-Chlorophenyl)sulfonyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylateBenzoic acid, 3-(trifluoromethyl)-, [5-[(4-chlorophenyl)sulfonyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl ester
데이터베이스 식별자
- CAS
318289-04-2
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 86.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 854
물리화학적 성질
- 끓는 점
- 682.8 · 682.8±55.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.56 · -2.56±0.10(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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