기본 정보
- CAS
1096543-37-1- 표준 SMILES
Oc1cc(OCc2ccc(Br)cc2)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1- InChIKey
YSQIAENQLTWNKD-UHFFFAOYSA-N- 분자식
- C23H15BrClF3N2O2
- 평균 분자량
- 523.7 g/mol
이름 및 식별자
- 우선 이름
- 5-[(4-bromobenzyl)oxy]-2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenol
- IUPAC
- 5-[(4-bromophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
- 영어명
- 5-[(4-bromobenzyl)oxy]-2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenol
- 분자식
- C23H15BrClF3N2O2
- 분자량
- 523.73
이름 및 동의어
5-[(4-bromobenzyl)oxy]-2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenol5-((4-bromobenzyl)oxy)-2-(4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)phenol5-(4-bromobenzyl)oxy-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1~{H}-pyrazol-3-yl]phenol5-[(4-bromophenyl)methoxy]-2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenolSTK588169AKOS002226526AKOS005510786ST50509893F3285-17605-[(4-bromophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-3- yl]phenol5-[(4-Bromobenzyl)oxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1 H -pyrazol-3-yl]phenol5-[(4-BROMOPHENYL)METHOXY]-2-[4-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL]PHENOL
이름 더 보기
Phenol, 5-[(4-bromophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 58.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 600
물리화학적 성질
- 끓는 점
- 624.4 · 624.4±55.0 °C(Predicted)
- 밀도
- 1.557 · 1.557±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.91 · 7.91±0.35(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
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