기본 정보
- CAS
318289-10-0- 표준 SMILES
Cn1nc(-c2ccccc2)c(COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Sc1ccc(Cl)cc1- InChIKey
DIGCLYJSXZSGOP-UHFFFAOYSA-N- 분자식
- C26H17ClF6N2O2S
- 평균 분자량
- 570.9 g/mol
이름 및 식별자
- 우선 이름
- [5-(4-Chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3,5-bis(trifluoromethyl)benzoate
- IUPAC
- [5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3,5-bis(trifluoromethyl)benzoate
- 영어명
- (5-[(4-CHLOROPHENYL)SULFANYL]-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHYL 3,5-BIS(TRIFLUOROMETHYL)BENZENECARBOXYLATE
- 분자식
- C26H17ClF6N2O2S
- 분자량
- 570.93
이름 및 동의어
318289-10-0[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3,5-bis(trifluoromethyl)benzoate{5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl 3,5-bis(trifluoromethyl)benzenecarboxylate{5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl 3,5-bis(trifluoromethyl)benzoateAKOS0050947565K-307S{5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl3,5-bis(trifluoromethyl)benzoateBenzoic acid, 3,5-bis(trifluoromethyl)-, [5-[(4-chlorophenyl)thio]-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl ester(5-[(4-CHLOROPHENYL)SULFANYL]-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHYL 3,5-BIS(TRIFLUOROMETHYL)BENZENECARBOXYLATE
데이터베이스 식별자
- CAS
318289-10-0
물성
구조 계산 물성
- XLogP
- 8
- 극성 표면적
- 69.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 767
물리화학적 성질
- 끓는 점
- 603.5 · 603.5±55.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.26 · -0.26±0.10(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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