4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(4-trifluoromethoxybenzyl)-1H-pyrazole
기본 정보
- CAS
1379615-57-2- 표준 SMILES
CC1(C)OB(c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)OC1(C)C- InChIKey
OFKMBPZXIVHLOT-UHFFFAOYSA-N- 분자식
- C17H20BF3N2O3
- 평균 분자량
- 368.2 g/mol
- 단동위원소 질량
- 368.1519072
이름 및 식별자
- 우선 이름
- 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(4-trifluoromethoxybenzyl)-1H-pyrazole
- IUPAC
- 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole
이름 및 동의어
1379615-57-24-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(4-trifluoromethoxybenzyl)-1H-pyrazole4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(4-(trifluoromethoxy)benzyl)-1H-pyrazole4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole1H-Pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}-1H-pyrazoleSCHEMBL8531452OFKMBPZXIVHLOT-UHFFFAOYSA-NDTXSID701115158A1-042244-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(4-trifluoromethoxy-benzyl)-1H-pyrazole
데이터베이스 식별자
- CAS
1379615-57-2- PubChem CID
- 67615709
- DTXSID
DTXSID701115158
물성
구조 계산 물성
- 극성 표면적
- 45.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 480
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