기본 정보
- CAS
318469-26-0- 표준 SMILES
Cn1nc(C(F)(F)F)c(COC(=O)CCl)c1Sc1ccc(F)cc1- InChIKey
RXDCMNRMFNCJMJ-UHFFFAOYSA-N- 분자식
- C14H11ClF4N2O2S
- 평균 분자량
- 382.8 g/mol
이름 및 식별자
- 우선 이름
- [5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 2-chloroacetate
- IUPAC
- [5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 2-chloroacetate
- 영어명
- [5-[(4-Fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 2-chloroacetate
- 분자식
- C14H11ClF4N2O2S
- 분자량
- 382.76
이름 및 동의어
318469-26-0[5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 2-chloroacetate[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 2-chloroacetate{5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl 2-chloroacetateAKOS0050926245G-314S(5-((4-Fluorophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl 2-chloroacetate{5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl2-chloroacetateAcetic acid, 2-chloro-, [5-[(4-fluorophenyl)thio]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl ester
데이터베이스 식별자
- CAS
318469-26-0
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 69.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 435
물리화학적 성질
- 끓는 점
- 423.9 · 423.9±45.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.56 · -2.56±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…