기본 정보
- CAS
318239-45-1- 표준 SMILES
COc1ccc2cc(-c3nn(-c4ncc(C(F)(F)F)cc4Cl)cc3C)ccc2c1Br- InChIKey
QCIKSWQKNOQQLD-UHFFFAOYSA-N- 분자식
- C21H14BrClF3N3O
- 평균 분자량
- 496.7 g/mol
이름 및 식별자
- 우선 이름
- 2-[3-(5-bromo-6-methoxy-2-naphthyl)-4-methyl-1H-pyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
- IUPAC
- 2-[3-(5-bromo-6-methoxynaphthalen-2-yl)-4-methylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
- 영어명
- 1-Bromo-6-(1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-1H-pyrazol-3-yl)-2-naphthyl methyl ether
- 분자식
- C21H14BrClF3N3O
- 분자량
- 496.71
이름 및 동의어
318239-45-12-[3-(5-bromo-6-methoxy-2-naphthyl)-4-methyl-1H-pyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine2-[3-(5-bromo-6-methoxynaphthalen-2-yl)-4-methylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine2-[3-(5-bromo-6-methoxynaphthalen-2-yl)-4-methyl-1H-pyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridineAKOS0050912684G-0121-Bromo-6-(1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-1H-pyrazol-3-yl)-2-naphthyl methyl etherPyridine, 2-[3-(5-bromo-6-methoxy-2-naphthalenyl)-4-methyl-1H-pyrazol-1-yl]-3-chloro-5-(trifluoromethyl)-1-bromo-6-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-1H-pyrazol-3-yl}-2-naphthyl methyl ether
데이터베이스 식별자
- CAS
318239-45-1
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 39.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 600
물리화학적 성질
- 끓는 점
- 544.6 · 544.6±50.0 °C(Predicted)
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.84 · -2.84±0.19(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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