기본 정보
- CAS
337921-04-7- 표준 SMILES
NNc1nc2cc(C(F)(F)F)ccc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O- InChIKey
NBDRCQGPKLZQLX-UHFFFAOYSA-N- 분자식
- C17H13ClF6N6O
- 평균 분자량
- 466.8 g/mol
이름 및 식별자
- 우선 이름
- 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-hydrazino-6-(trifluoromethyl)-2(1H)-quinoxalinone
- IUPAC
- 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-hydrazinyl-6-(trifluoromethyl)quinoxalin-2-one
- 영어명
- 1-(2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-3-hydrazino-6-(trifluoromethyl)-2(1H)-quinoxalinone
- 분자식
- C17H13ClF6N6O
- 분자량
- 466.77
이름 및 동의어
337921-04-71-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-hydrazino-6-(trifluoromethyl)-2(1H)-quinoxalinone1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-hydrazinyl-6-(trifluoromethyl)-1,2-dihydroquinoxalin-2-one1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-hydrazinyl-6-(trifluoromethyl)quinoxalin-2-oneAKOS00507501210J-9061-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-3-hydrazinyl-6-(trifluoromethyl)quinoxalin-2(1H)-one1-(2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-3-hydrazino-6-(trifluoromethyl)-2(1H)-quinoxalinone2(1H)-Quinoxalinone, 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-hydrazinyl-6-(trifluoromethyl)-
데이터베이스 식별자
- CAS
337921-04-7
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 95.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 689
물리화학적 성질
- 끓는 점
- 542.5 · 542.5±60.0 °C(Predicted)
- 밀도
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.71 · 1.71±0.10(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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