기본 정보
- 표준 SMILES
CC1(C)OB(c2cnn(Cc3cc(F)ccc3F)c2)OC1(C)C- InChIKey
FHFUFFKAVJDRLL-UHFFFAOYSA-N- 분자식
- C16H19BF2N2O2
- 평균 분자량
- 320.1 g/mol
- 단동위원소 질량
- 320.1507643
이름 및 식별자
- 우선 이름
- 1H-Pyrazole, 1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- IUPAC
- 1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
이름 및 동의어
1430751-16-81H-Pyrazole, 1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,5-difluorobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-(2,5-Difluorobenzyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazoleSCHEMBL14857667FHFUFFKAVJDRLL-UHFFFAOYSA-NCS-0177039H28175A1-058261-[(2,5-difluorophenyl)methyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
데이터베이스 식별자
- PubChem CID
- 89498024
물성
구조 계산 물성
- 극성 표면적
- 36.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 422
관련 반응
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