기본 정보
- CAS
957010-41-2- 표준 SMILES
Cn1nc(C(F)(F)F)c(COC(=O)C(Cl)Cl)c1Sc1ccc(Br)cc1- InChIKey
JIOCSZWHISKQLV-UHFFFAOYSA-N- 분자식
- C14H10BrCl2F3N2O2S
- 평균 분자량
- 478.1 g/mol
이름 및 식별자
- 우선 이름
- {5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl 2,2-dichloroacetate
- IUPAC
- [5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 2,2-dichloroacetate
- 영어명
- [5-[(4-Bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 2,2-dichloroacetate
- 분자식
- C14H10BrCl2F3N2O2S
- 분자량
- 478.11
이름 및 동의어
957010-41-2{5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl 2,2-dichloroacetate[5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 2,2-dichloroacetate[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 2,2-dichloroacetateAKOS0050912164G-385S(5-((4-Bromophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl 2,2-dichloroacetate{5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl2,2-dichloroacetateAcetic acid, 2,2-dichloro-, [5-[(4-bromophenyl)thio]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl ester
데이터베이스 식별자
- CAS
957010-41-2
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 69.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 468
물리화학적 성질
- 끓는 점
- 480.1 · 480.1±45.0 °C(Predicted)
- 밀도
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.74 · -2.74±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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