기본 정보
- CAS
438227-92-0- 표준 SMILES
CC1=NN(C(=O)c2ccc(C(=O)N3N=C(C)CC3(O)C(F)(F)F)cc2)C(O)(C(F)(F)F)C1- InChIKey
LJGATORIOZPWNF-UHFFFAOYSA-N- 분자식
- C18H16F6N4O4
- 평균 분자량
- 466.3 g/mol
- 단동위원소 질량
- 466.10757398
이름 및 식별자
- 우선 이름
- [4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
- IUPAC
- [4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
- 영어명
- 1-(4-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- 분자식
- C18H16F6N4O4
- 분자량
- 466.3344592
이름 및 동의어
[4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone1-(4-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-olAK-968/41171416STK449205AKOS001690286AKOS022005039ST50831548(1,4-phenylene)bis{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone}438227-92-05-hydroxy-3-methyl-5-(trifluoromethyl)(2-pyrazolinyl) 4-{[5-hydroxy-3-methyl-5 -(trifluoromethyl)(2-pyrazolinyl)]carbonyl}phenyl ketonebenzene-1,4-diylbis{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone}1H-Pyrazol-5-ol, 1,1'-(1,4-phenylenedicarbonyl)bis[4,5-dihydro-3-methyl-5-(trifluoromethyl)- (9CI)
데이터베이스 식별자
- CAS
438227-92-0- PubChem CID
- 3285748
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 795
물리화학적 성질
- 끓는 점
- 542.4 · 542.4±60.0 °C(Predicted)
- 밀도
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.6 · 8.60±0.40(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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