(1-(4-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-YL)methanol
기본 정보
- CAS
218631-47-1- 표준 SMILES
COc1ccc(-n2nc(C(F)(F)F)cc2CO)cc1- InChIKey
VVWJNVLGCMIBJP-UHFFFAOYSA-N- 분자식
- C12H11F3N2O2
- 평균 분자량
- 272.22 g/mol
- 단동위원소 질량
- 272.07726208
이름 및 식별자
- 우선 이름
- (1-(4-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-YL)methanol
- IUPAC
- [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
- 영어명
- (1-(4-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
- 분자식
- C12H11F3N2O2
- 분자량
- 272.22
이름 및 동의어
218631-47-1(1-(4-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)METHANOL[2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]methanol[1-(4-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanolSCHEMBL6176465DTXSID70466992AB44128C904313-trifluoromethyl-5-hydroxymethyl-1 -(4-methoxyphenyl)-1H-pyrazole3-trifluoromethyl-5-hydroxymethyl-1-(4-methoxyphenyl)-1H-pyrazole1H-Pyrazole-5-methanol, 1-(4-methoxyphenyl)-3-(trifluoromethyl)-
데이터베이스 식별자
- CAS
218631-47-1- PubChem CID
- 11471256
- DTXSID
DTXSID70466992
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 47.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 293
관련 반응
3건
화합물 노트
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